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

Systemtic Name: 5-[3-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[3-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[3-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-2,5-dioxo-1-pyrrolidinyl]-2-hydroxybenzoic acid IUPAC Name: 5-[3-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[3-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]-2-hydroxy-benzoic acid Formula: C16H16N2O8S MolecularWeight: 396.37184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CC(=O)N(C1=O)C2=CC(=C(C=C2)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1CC(=O)N(C1=O)C2=CC(=C(C=C2)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H16N2O8S/c1-7(19)17-10(16(25)26)6-27-12-5-13(21)18(14(12)22)8-2-3-11(20)9(4-8)15(23)24/h2-4,10,12,20H,5-6H2,1H3,(H,17,19)(H,23,24)(H,25,26)