methyl (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate

Systemtic Name: methyl (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: methyl (5E)-2-anilino-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-thiophene-3-carboxylate CAS Name: (5E)-2-anilino-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl (5E)-2-anilino-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxothiophene-3-carboxylate Traditional Name: (5E)-2-anilino-4-keto-5-piperonylidene-thiophene-3-carboxylic acid methyl ester Formula: C20H15NO5S MolecularWeight: 381.4018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=C(S/C(=C/C2=CC3=C(C=C2)OCO3)/C1=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H15NO5S/c1-24-20(23)17-18(22)16(27-19(17)21-13-5-3-2-4-6-13)10-12-7-8-14-15(9-12)26-11-25-14/h2-10,21H,11H2,1H3/b16-10+