(2-azanyl-2-oxidanylidene-ethyl) 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid (2-amino-2-keto-ethyl) ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)N

InChI

InChI=1S/C15H20N2O4S/c1-10-4-3-5-11(8-10)14(19)17-12(6-7-22-2)15(20)21-9-13(16)18/h3-5,8,12H,6-7,9H2,1-2H3,(H2,16,18)(H,17,19)