octyl 2-methyl-5-oxidanylidene-4-[2-(phenylmethylsulfanyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

Systemtic Name: octyl 2-methyl-5-oxidanylidene-4-[2-(phenylmethylsulfanyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Openeye Name: octyl 4-(2-benzylsulfanylphenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate CAS Name: 2-methyl-5-oxo-4-[2-(phenylmethylthio)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid octyl ester IUPAC Name: octyl 4-(2-benzylsulfanylphenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Traditional Name: 4-[2-(benzylthio)phenyl]-5-keto-2-methyl-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid octyl ester Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)OC2)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)OC2)C

InChI

InChI=1S/C30H35NO4S/c1-3-4-5-6-7-13-18-34-29(32)26-21(2)31-24-19-35-30(33)28(24)27(26)23-16-11-12-17-25(23)36-20-22-14-9-8-10-15-22/h8-12,14-17,27,31H,3-7,13,18-20H2,1-2H3