ethyl 1-[[3-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(3R)-1,1-dioxo-3-thiolanyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-[(3R)-1,1-diketothiolan-3-yl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C16H26N4O4S2 MolecularWeight: 402.53204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3CCS(=O)(=O)C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)[C@H]3CCS(=O)(=O)C3)C

InChI

InChI=1S/C16H26N4O4S2/c1-3-24-15(21)12-4-7-19(8-5-12)11-20-16(25)18(2)14(17-20)13-6-9-26(22,23)10-13/h12-13H,3-11H2,1-2H3/t13-/m0/s1