4-[3-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[3-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 4-[3-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[3-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]benzoic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7S/c1-8(19)17-11(16(24)25)7-26-12-6-13(20)18(14(12)21)10-4-2-9(3-5-10)15(22)23/h2-5,11-12H,6-7H2,1H3,(H,17,19)(H,22,23)(H,24,25)