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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methylideneamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methyleneamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methylideneamino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methylideneamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-tert-butylbenzylidene)amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO4S/c1-6-30-26(29)24-21(13-19-9-12-22-23(14-19)32-16-31-22)17(2)33-25(24)28-15-18-7-10-20(11-8-18)27(3,4)5/h7-12,14-15H,6,13,16H2,1-5H3