ethyl (5Z)-2-[(3-chlorophenyl)amino]-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-2-[(3-chlorophenyl)amino]-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-2-(3-chloroanilino)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-2-(3-chloroanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-2-(3-chloroanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-2-(3-chloroanilino)-4-keto-5-vanillylidene-thiophene-3-carboxylic acid ethyl ester Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)O)OC)C1=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\C2=CC(=C(C=C2)O)OC)/C1=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H18ClNO5S/c1-3-28-21(26)18-19(25)17(10-12-7-8-15(24)16(9-12)27-2)29-20(18)23-14-6-4-5-13(22)11-14/h4-11,23-24H,3H2,1-2H3/b17-10-