2-cyanoethyl (1Z)-N-[methyl-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-carbamoyl]oxyethanimidothioate

Systemtic Name: 2-cyanoethyl (1Z)-N-[methyl-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-carbamoyl]oxyethanimidothioate Openeye Name: 2-cyanoethyl (1Z)-N-[(1,1-dimethyl-2-oxo-2-phenyl-ethyl)sulfanyl-methyl-carbamoyl]oxyethanimidothioate CAS Name: (1Z)-N-[[methyl-[(2-methyl-1-oxo-1-phenylpropan-2-yl)thio]amino]-oxomethoxy]ethanimidothioic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (1Z)-N-[methyl-(2-methyl-1-oxo-1-phenylpropan-2-yl)sulfanylcarbamoyl]oxyethanimidothioate Traditional Name: (1Z)-N-[[(2-keto-1,1-dimethyl-2-phenyl-ethyl)thio]-methyl-carbamoyl]oxythioacetimidic acid 2-cyanoethyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)N(C)SC(C)(C)C(=O)C1=CC=CC=C1)SCCC#N

Isomeric SMILES

C/C(=N/OC(=O)N(C)SC(C)(C)C(=O)C1=CC=CC=C1)/SCCC#N

InChI

InChI=1S/C17H21N3O3S2/c1-13(24-12-8-11-18)19-23-16(22)20(4)25-17(2,3)15(21)14-9-6-5-7-10-14/h5-7,9-10H,8,12H2,1-4H3/b19-13-