For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethyl 3-amino-5-anilino-4-[(benzothiazol-2-ylamino)carbonyl]thiophene-2-carboxylate
SpectraBase Compound ID IuUkFatcyEJ
InChI InChI=1S/C21H18N4O3S2/c1-2-28-20(27)17-16(22)15(19(30-17)23-12-8-4-3-5-9-12)18(26)25-21-24-13-10-6-7-11-14(13)29-21/h3-11,23H,2,22H2,1H3,(H,24,25,26)
InChIKey ACIFZZIYVIOYRJ-UHFFFAOYSA-N
Mol Weight 438.52 g/mol
Molecular Formula C21H18N4O3S2
Exact Mass 438.082033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GHqn8kJqx2P
Name Ethyl 3-amino-5-anilino-4-[(benzothiazol-2-ylamino)carbonyl]thiophene-2-carboxylate
Alternate Name(s) 3-Amino-5-anilino-4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-2-thiophenecarboxylic acid ethyl ester Ethyl 3-amino-5-anilino-4-(1,3-benzothiazol-2-ylcarbamoyl)thiophene-2-carboxylate Ethyl 3-azanyl-4-(1,3-benzothiazol-2-ylcarbamoyl)-5-phenylazanyl-thiophene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O3S2
InChI InChI=1S/C21H18N4O3S2/c1-2-28-20(27)17-16(22)15(19(30-17)23-12-8-4-3-5-9-12)18(26)25-21-24-13-10-6-7-11-14(13)29-21/h3-11,23H,2,22H2,1H3,(H,24,25,26)
InChIKey ACIFZZIYVIOYRJ-UHFFFAOYSA-N
Molecular Weight 438.520 g/mol
SMILES Nc1c(c(sc1C(=O)OCC)Nc1ccccc1)C(Nc1nc2ccccc2s1)=O
SPLASH splash10-002o-4290500000-cdb45047641eeda4d3be
Source of Spectrum F2-45-3698-13
Wiley ID 1703337