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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)SCCC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)SCCC(=O)O

InChI

InChI=1S/C14H13NO6S/c16-11-7-10(22-5-4-12(17)18)13(19)15(11)9-3-1-2-8(6-9)14(20)21/h1-3,6,10H,4-5,7H2,(H,17,18)(H,20,21)