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

Systemtic Name: ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-methoxyphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-2-[(4-methoxybenzoyl)amino]-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-methoxybenzoyl)amino]-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-4-keto-2-(p-anisoylamino)-5-piperonylidene-thiophene-3-carboxylic acid ethyl ester Formula: C23H19NO7S MolecularWeight: 453.46446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2)OCO3)C1=O)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\C2=CC3=C(C=C2)OCO3)/C1=O)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H19NO7S/c1-3-29-23(27)19-20(25)18(11-13-4-9-16-17(10-13)31-12-30-16)32-22(19)24-21(26)14-5-7-15(28-2)8-6-14/h4-11H,3,12H2,1-2H3,(H,24,26)/b18-11-