ethyl 4-(3-nitrophenyl)-2-(thiophen-2-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-(thiophen-2-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-(2-thenoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H15N3O5S3 MolecularWeight: 461.5345

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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)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H15N3O5S3/c1-2-27-18(24)15-13(11-5-3-6-12(9-11)22(25)26)10-30-17(15)21-19(28)20-16(23)14-7-4-8-29-14/h3-10H,2H2,1H3,(H2,20,21,23,28)