2-cyanoethyl (1E)-N-(methoxycarbonylamino)-2-phenyl-ethanimidothioate

Systemtic Name: 2-cyanoethyl (1E)-N-(methoxycarbonylamino)-2-phenyl-ethanimidothioate Openeye Name: 2-cyanoethyl (1E)-N-(methoxycarbonylamino)-2-phenyl-ethanimidothioate CAS Name: (1E)-N-(methoxycarbonylamino)-2-phenylethanimidothioic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (1E)-N-(methoxycarbonylamino)-2-phenylethanimidothioate Traditional Name: (1E)-N-(carbomethoxyamino)-2-phenyl-thioacetimidic acid 2-cyanoethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NN=C(CC1=CC=CC=C1)SCCC#N

Isomeric SMILES

COC(=O)N/N=C(\CC1=CC=CC=C1)/SCCC#N

InChI

InChI=1S/C13H15N3O2S/c1-18-13(17)16-15-12(19-9-5-8-14)10-11-6-3-2-4-7-11/h2-4,6-7H,5,9-10H2,1H3,(H,16,17)/b15-12+