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

Systemtic Name: 3-[3-(2-carboxyphenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-[(2-carboxyphenyl)thio]-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-[(2-carboxyphenyl)thio]-2,5-diketo-pyrrolidino]-4-methyl-benzoic acid Formula: C19H15NO6S MolecularWeight: 385.3905

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)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H15NO6S/c1-10-6-7-11(18(23)24)8-13(10)20-16(21)9-15(17(20)22)27-14-5-3-2-4-12(14)19(25)26/h2-8,15H,9H2,1H3,(H,23,24)(H,25,26)