ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(3-chlorophenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(3-chlorophenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-2-(3-chloroanilino)-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(3-chloroanilino)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(3-chloroanilino)-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-2-(3-chloroanilino)-4-keto-5-piperonylidene-thiophene-3-carboxylic acid ethyl ester Formula: C21H16ClNO5S MolecularWeight: 429.87344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2)OCO3)C1=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\C2=CC3=C(C=C2)OCO3)/C1=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16ClNO5S/c1-2-26-21(25)18-19(24)17(9-12-6-7-15-16(8-12)28-11-27-15)29-20(18)23-14-5-3-4-13(22)10-14/h3-10,23H,2,11H2,1H3/b17-9-