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

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylthiocarbamoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H21N3O5S2 MolecularWeight: 483.55994

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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)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O5S2/c1-2-31-22(28)20-18(16-9-6-10-17(13-16)26(29)30)14-33-21(20)25-23(32)24-19(27)12-11-15-7-4-3-5-8-15/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,27,32)