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

Systemtic Name: 3-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[3-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-[(2-amino-3-hydroxy-3-oxopropyl)thio]-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-[(2-amino-3-hydroxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]-4-methyl-benzoic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O6S/c1-7-2-3-8(14(20)21)4-10(7)17-12(18)5-11(13(17)19)24-6-9(16)15(22)23/h2-4,9,11H,5-6,16H2,1H3,(H,20,21)(H,22,23)