methyl 3-methyl-2-[(2-methylsulfanylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[(2-methylsulfanylphenyl)carbonylamino]butanoate Openeye Name: methyl 3-methyl-2-[(2-methylsulfanylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[[2-(methylthio)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(2-methylsulfanylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-[[2-(methylthio)benzoyl]amino]butyric acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC=CC=C1SC

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C14H19NO3S/c1-9(2)12(14(17)18-3)15-13(16)10-7-5-6-8-11(10)19-4/h5-9,12H,1-4H3,(H,15,16)