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

Systemtic Name: propan-2-yl 2-methyl-5-oxidanylidene-4-[2-(phenylmethylsulfanyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)OC(C)C

InChI

InChI=1S/C25H25NO4S/c1-15(2)30-25(28)21-16(3)26-19-13-29-24(27)23(19)22(21)18-11-7-8-12-20(18)31-14-17-9-5-4-6-10-17/h4-12,15,22,26H,13-14H2,1-3H3