4-ethylsulfanyl-2-[(3-methylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-ethylsulfanyl-2-[(3-methylphenyl)carbonylamino]butanoic acid Openeye Name: 4-ethylsulfanyl-2-[(3-methylbenzoyl)amino]butanoic acid CAS Name: 4-(ethylthio)-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-ethylsulfanyl-2-[(3-methylbenzoyl)amino]butanoic acid Traditional Name: 4-(ethylthio)-2-(m-toluoylamino)butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C14H19NO3S/c1-3-19-8-7-12(14(17)18)15-13(16)11-6-4-5-10(2)9-11/h4-6,9,12H,3,7-8H2,1-2H3,(H,15,16)(H,17,18)