ethyl 2-(anthracen-9-ylmethylideneamino)-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(anthracen-9-ylmethylideneamino)-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(9-anthrylmethyleneamino)-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-(9-anthracenylmethylideneamino)-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(anthracen-9-ylmethylideneamino)-4-(1,3-benzodioxol-5-ylmethyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-(9-anthrylmethyleneamino)-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H25NO4S MolecularWeight: 507.5995

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=C5C=CC=CC5=CC6=CC=CC=C64

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=C5C=CC=CC5=CC6=CC=CC=C64

InChI

InChI=1S/C31H25NO4S/c1-3-34-31(33)29-25(14-20-12-13-27-28(15-20)36-18-35-27)19(2)37-30(29)32-17-26-23-10-6-4-8-21(23)16-22-9-5-7-11-24(22)26/h4-13,15-17H,3,14,18H2,1-2H3