6-methyl-6-[1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-methyl-6-[1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-[2,5-dioxo-1-(p-tolyl)pyrrolidin-3-yl]sulfanyl-6-methyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-methyl-6-[[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-methyl-6-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-[[2,5-diketo-1-(p-tolyl)pyrrolidin-3-yl]thio]-6-methyl-cyclohexa-2,4-diene-1-carboxylate Formula: C19H18NO4S- MolecularWeight: 356.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3(C=CC=CC3C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3(C=CC=CC3C(=O)[O-])C

InChI

InChI=1S/C19H19NO4S/c1-12-6-8-13(9-7-12)20-16(21)11-15(17(20)22)25-19(2)10-4-3-5-14(19)18(23)24/h3-10,14-15H,11H2,1-2H3,(H,23,24)/p-1