ethyl (2R)-1-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[1-oxo-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CSC2=NN(C(=N2)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)CSC2=NN(C(=N2)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-4-28-20(27)17-12-8-9-13-24(17)18(26)14-29-21-22-19(15(2)3)25(23-21)16-10-6-5-7-11-16/h5-7,10-11,15,17H,4,8-9,12-14H2,1-3H3/t17-/m1/s1