ethyl 1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(methylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(methylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]isonipecotic acid ethyl ester Formula: C12H20N4O2S2 MolecularWeight: 316.4428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)SC(=N2)NC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)SC(=N2)NC

InChI

InChI=1S/C12H20N4O2S2/c1-3-18-10(17)9-4-6-15(7-5-9)8-16-12(19)20-11(13-2)14-16/h9H,3-8H2,1-2H3,(H,13,14)