2-[4-[carboxymethyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[carboxymethyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-acetylsulfanyl-2-methyl-propanoyl)-(carboxymethyl)amino]phenyl]acetic acid CAS Name: 2-[4-[[3-(acetylthio)-2-methyl-1-oxopropyl]-(carboxymethyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-acetylsulfanyl-2-methylpropanoyl)-(carboxymethyl)amino]phenyl]acetic acid Traditional Name: 2-[4-[[3-(acetylthio)-2-methyl-propanoyl]-(carboxymethyl)amino]phenyl]acetic acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO6S/c1-10(9-24-11(2)18)16(23)17(8-15(21)22)13-5-3-12(4-6-13)7-14(19)20/h3-6,10H,7-9H2,1-2H3,(H,19,20)(H,21,22)