cyanomethyl 2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: cyanomethyl 2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: cyanomethyl 2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(o-anisoylamino)butyric acid cyanomethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC#N

InChI

InChI=1S/C15H18N2O4S/c1-20-13-6-4-3-5-11(13)14(18)17-12(7-10-22-2)15(19)21-9-8-16/h3-6,12H,7,9-10H2,1-2H3,(H,17,18)