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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-phenylphenyl)methylideneamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-phenylphenyl)methyleneamino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-phenylphenyl)methylideneamino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-phenylphenyl)methylideneamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-phenylbenzylidene)amino]-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H25NO4S MolecularWeight: 483.5781

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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)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25NO4S/c1-3-32-29(31)27-24(15-21-11-14-25-26(16-21)34-18-33-25)19(2)35-28(27)30-17-20-9-12-23(13-10-20)22-7-5-4-6-8-22/h4-14,16-17H,3,15,18H2,1-2H3