diethyl 5-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[2,5-dioxo-3-(p-tolylsulfanyl)pyrrolidin-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[3-[(4-methylphenyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(4-methylphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2,5-diketo-3-(p-tolylthio)pyrrolidino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)N2C(=O)CC(C2=O)SC3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)N2C(=O)CC(C2=O)SC3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C23H23NO6S/c1-4-29-22(27)15-10-16(23(28)30-5-2)12-17(11-15)24-20(25)13-19(21(24)26)31-18-8-6-14(3)7-9-18/h6-12,19H,4-5,13H2,1-3H3