2-[carboxymethyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]benzoic acid

Systemtic Name: 2-[carboxymethyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]benzoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-(carboxymethyl)amino]benzoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-(carboxymethyl)amino]benzoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-(carboxymethyl)amino]benzoic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-(carboxymethyl)amino]benzoic acid Formula: C15H17NO6S MolecularWeight: 339.36358

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CC(=O)O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CC(=O)O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C15H17NO6S/c1-9(8-23-10(2)17)14(20)16(7-13(18)19)12-6-4-3-5-11(12)15(21)22/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H,21,22)