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

Systemtic Name: ethyl (5Z)-2-benzamido-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-2-benzamido-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-2-benzamido-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-2-benzamido-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-2-benzamido-4-keto-5-piperonylidene-thiophene-3-carboxylic acid ethyl ester Formula: C22H17NO6S MolecularWeight: 423.43848

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO6S/c1-2-27-22(26)18-19(24)17(11-13-8-9-15-16(10-13)29-12-28-15)30-21(18)23-20(25)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,23,25)/b17-11-