ethyl 4-(3-nitrophenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-(4-phenoxybutanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C24H23N3O6S2 MolecularWeight: 513.58592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C24H23N3O6S2/c1-2-32-23(29)21-19(16-8-6-9-17(14-16)27(30)31)15-35-22(21)26-24(34)25-20(28)12-7-13-33-18-10-4-3-5-11-18/h3-6,8-11,14-15H,2,7,12-13H2,1H3,(H2,25,26,28,34)