3-[3-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[3-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(1-amino-2-hydroxy-2-oxo-ethyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-[3-[(1-amino-2-hydroxy-2-oxoethyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[3-(1-amino-2-hydroxy-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-[3-[(1-amino-2-hydroxy-2-keto-ethyl)thio]-2,5-diketo-pyrrolidino]benzoic acid Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O6S/c14-10(13(20)21)22-8-5-9(16)15(11(8)17)7-3-1-2-6(4-7)12(18)19/h1-4,8,10H,5,14H2,(H,18,19)(H,20,21)