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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylphenyl)methylideneamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylphenyl)methyleneamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylphenyl)methylideneamino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylphenyl)methylideneamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-ethylbenzylidene)amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=NC2=C(C(=C(S2)C)CC3=CC4=C(C=C3)OCO4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C=NC2=C(C(=C(S2)C)CC3=CC4=C(C=C3)OCO4)C(=O)OCC

InChI

InChI=1S/C25H25NO4S/c1-4-17-6-8-18(9-7-17)14-26-24-23(25(27)28-5-2)20(16(3)31-24)12-19-10-11-21-22(13-19)30-15-29-21/h6-11,13-14H,4-5,12,15H2,1-3H3