2-[methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]ethanoic acid Openeye Name: 2-[methyl-[3-(p-tolylsulfanyl)propanoyl]amino]acetic acid CAS Name: 2-[methyl-[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[methyl-[3-(p-tolylthio)propanoyl]amino]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(C)CC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-10-3-5-11(6-4-10)18-8-7-12(15)14(2)9-13(16)17/h3-6H,7-9H2,1-2H3,(H,16,17)