ethyl (3S)-1-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H20N4O3S2/c1-2-23-15(22)11-5-3-7-20(9-11)13(21)10-25-16-17-14(18-19-16)12-6-4-8-24-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,17,18,19)/t11-/m0/s1