ethyl (5Z)-2-[(4-nitrophenyl)amino]-4-oxidanylidene-5-(phenylmethylidene)thiolane-3-carboxylate

Systemtic Name: ethyl (5Z)-2-[(4-nitrophenyl)amino]-4-oxidanylidene-5-(phenylmethylidene)thiolane-3-carboxylate Openeye Name: ethyl (5Z)-5-benzylidene-2-(4-nitroanilino)-4-oxo-tetrahydrothiophene-3-carboxylate CAS Name: (5Z)-2-(4-nitroanilino)-4-oxo-5-(phenylmethylene)-3-thiolanecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-benzylidene-2-(4-nitroanilino)-4-oxothiolane-3-carboxylate Traditional Name: (5Z)-5-benzal-4-keto-2-(4-nitroanilino)tetrahydrothiophene-3-carboxylic acid ethyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC(=CC2=CC=CC=C2)C1=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(S/C(=C\C2=CC=CC=C2)/C1=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5S/c1-2-27-20(24)17-18(23)16(12-13-6-4-3-5-7-13)28-19(17)21-14-8-10-15(11-9-14)22(25)26/h3-12,17,19,21H,2H2,1H3/b16-12-