ethyl 2-(4-carbamimidoylsulfanyl-1-methyl-piperidin-4-yl)-2-cyano-ethanoate

Systemtic Name: ethyl 2-(4-carbamimidoylsulfanyl-1-methyl-piperidin-4-yl)-2-cyano-ethanoate Openeye Name: ethyl 2-(4-carbamimidoylsulfanyl-1-methyl-4-piperidyl)-2-cyano-acetate CAS Name: 2-[4-(carbamimidoylthio)-1-methyl-4-piperidinyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(4-carbamimidoylsulfanyl-1-methylpiperidin-4-yl)-2-cyanoacetate Traditional Name: 2-[4-(amidinothio)-1-methyl-4-piperidyl]-2-cyano-acetic acid ethyl ester Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(CCN(CC1)C)SC(=N)N

Isomeric SMILES

CCOC(=O)C(C#N)C1(CCN(CC1)C)SC(=N)N

InChI

InChI=1S/C12H20N4O2S/c1-3-18-10(17)9(8-13)12(19-11(14)15)4-6-16(2)7-5-12/h9H,3-7H2,1-2H3,(H3,14,15)