ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-propan-2-ylphenyl)methylideneamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-propan-2-ylphenyl)methylideneamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-isopropylphenyl)methyleneamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-propan-2-ylphenyl)methylideneamino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-propan-2-ylphenyl)methylideneamino]thiophene-3-carboxylate Traditional Name: 2-[(4-isopropylbenzylidene)amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4S/c1-5-29-26(28)24-21(12-19-8-11-22-23(13-19)31-15-30-22)17(4)32-25(24)27-14-18-6-9-20(10-7-18)16(2)3/h6-11,13-14,16H,5,12,15H2,1-4H3