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

Systemtic Name: methyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-fluorophenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: methyl (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-2-(4-fluoroanilino)-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-fluoroanilino)-4-oxo-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-fluoroanilino)-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-2-(4-fluoroanilino)-4-keto-5-piperonylidene-thiophene-3-carboxylic acid methyl ester Formula: C20H14FNO5S MolecularWeight: 399.392263

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C20H14FNO5S/c1-25-20(24)17-18(23)16(9-11-2-7-14-15(8-11)27-10-26-14)28-19(17)22-13-5-3-12(21)4-6-13/h2-9,22H,10H2,1H3/b16-9-