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

Systemtic Name: 3-[3-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[3-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]-4-methyl-benzoic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C17H18N2O7S/c1-8-3-4-10(16(23)24)5-12(8)19-14(21)6-13(15(19)22)27-7-11(17(25)26)18-9(2)20/h3-5,11,13H,6-7H2,1-2H3,(H,18,20)(H,23,24)(H,25,26)