(1-azanyl-1-oxidanylidene-propan-2-yl) 2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(o-anisoylamino)butyric acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC

Isomeric SMILES

CC(C(=O)N)OC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C16H22N2O5S/c1-10(14(17)19)23-16(21)12(8-9-24-3)18-15(20)11-6-4-5-7-13(11)22-2/h4-7,10,12H,8-9H2,1-3H3,(H2,17,19)(H,18,20)