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

Systemtic Name: propan-2-yl 4-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)-4-pyrrolidin-1-yl-pyrrol-1-yl]benzoate Openeye Name: isopropyl 4-[2,5-dioxo-3-(p-tolylsulfanyl)-4-pyrrolidin-1-yl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(4-methylphenyl)thio]-2,5-dioxo-4-(1-pyrrolidinyl)-1-pyrrolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(4-methylphenyl)sulfanyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(p-tolylthio)-4-pyrrolidino-3-pyrrolin-1-yl]benzoic acid isopropyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)N4CCCC4

InChI

InChI=1S/C25H26N2O4S/c1-16(2)31-25(30)18-8-10-19(11-9-18)27-23(28)21(26-14-4-5-15-26)22(24(27)29)32-20-12-6-17(3)7-13-20/h6-13,16H,4-5,14-15H2,1-3H3