methyl 2-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)-4-piperidin-1-yl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 2-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)-4-piperidin-1-yl-pyrrol-1-yl]benzoate Openeye Name: methyl 2-[2,5-dioxo-3-(1-piperidyl)-4-(p-tolylsulfanyl)pyrrol-1-yl]benzoate CAS Name: 2-[3-[(4-methylphenyl)thio]-2,5-dioxo-4-(1-piperidinyl)-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylphenyl)sulfanyl-2,5-dioxo-4-piperidin-1-ylpyrrol-1-yl]benzoate Traditional Name: 2-[2,5-diketo-3-piperidino-4-(p-tolylthio)-3-pyrrolin-1-yl]benzoic acid methyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3C(=O)OC)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3C(=O)OC)N4CCCCC4

InChI

InChI=1S/C24H24N2O4S/c1-16-10-12-17(13-11-16)31-21-20(25-14-6-3-7-15-25)22(27)26(23(21)28)19-9-5-4-8-18(19)24(29)30-2/h4-5,8-13H,3,6-7,14-15H2,1-2H3