3-[3-(carboxymethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[3-(carboxymethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[3-(carboxymethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-(carboxymethylthio)-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(carboxymethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-(carboxymethylthio)-2,5-diketo-pyrrolidino]-4-methyl-benzoic acid Formula: C14H13NO6S MolecularWeight: 323.32112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)SCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)SCC(=O)O

InChI

InChI=1S/C14H13NO6S/c1-7-2-3-8(14(20)21)4-9(7)15-11(16)5-10(13(15)19)22-6-12(17)18/h2-4,10H,5-6H2,1H3,(H,17,18)(H,20,21)