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

Systemtic Name: ethyl (3S)-1-[2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NNC(=O)N2C3CC3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C15H22N4O4S/c1-2-23-13(21)10-4-3-7-18(8-10)12(20)9-24-15-17-16-14(22)19(15)11-5-6-11/h10-11H,2-9H2,1H3,(H,16,22)/t10-/m0/s1