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

Systemtic Name: butyl 4-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)-4-pyrrolidin-1-yl-pyrrol-1-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCCC4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCCC4

InChI

InChI=1S/C26H28N2O4S/c1-3-4-17-32-26(31)19-9-11-20(12-10-19)28-24(29)22(27-15-5-6-16-27)23(25(28)30)33-21-13-7-18(2)8-14-21/h7-14H,3-6,15-17H2,1-2H3