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

Systemtic Name: 3-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-[3-[(2-amino-3-hydroxy-3-oxopropyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[3-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-[3-[(2-amino-3-hydroxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]benzoic acid Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6S/c15-9(14(21)22)6-23-10-5-11(17)16(12(10)18)8-3-1-2-7(4-8)13(19)20/h1-4,9-10H,5-6,15H2,(H,19,20)(H,21,22)