ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(phenylmethylidene)amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(phenylmethylidene)amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-(benzylideneamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(phenylmethylene)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-(benzylideneamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(benzalamino)-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CC=CC=C4

InChI

InChI=1S/C23H21NO4S/c1-3-26-23(25)21-18(11-17-9-10-19-20(12-17)28-14-27-19)15(2)29-22(21)24-13-16-7-5-4-6-8-16/h4-10,12-13H,3,11,14H2,1-2H3