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

Systemtic Name: cyanomethyl 4-(cyanomethylsulfanyl)-2-[(2-methoxyphenyl)carbonylamino]butanoate Openeye Name: cyanomethyl 4-(cyanomethylsulfanyl)-2-[(2-methoxybenzoyl)amino]butanoate CAS Name: 4-(cyanomethylthio)-2-[[(2-methoxyphenyl)-oxomethyl]amino]butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(cyanomethylsulfanyl)-2-[(2-methoxybenzoyl)amino]butanoate Traditional Name: 4-(cyanomethylthio)-2-(o-anisoylamino)butyric acid cyanomethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-22-14-5-3-2-4-12(14)15(20)19-13(6-10-24-11-8-18)16(21)23-9-7-17/h2-5,13H,6,9-11H2,1H3,(H,19,20)