ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-2-anilino-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-2-anilino-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-2-anilino-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-2-anilino-4-keto-5-piperonylidene-thiophene-3-carboxylic acid ethyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO5S/c1-2-25-21(24)18-19(23)17(28-20(18)22-14-6-4-3-5-7-14)11-13-8-9-15-16(10-13)27-12-26-15/h3-11,22H,2,12H2,1H3/b17-11-