ethyl (2R)-2-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C14H18F3N3O3S MolecularWeight: 365.37123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CN1C(=CC(=N1)C(F)(F)F)C2CC2

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CN1C(=CC(=N1)C(F)(F)F)C2CC2

InChI

InChI=1S/C14H18F3N3O3S/c1-2-23-13(22)9(7-24)18-12(21)6-20-10(8-3-4-8)5-11(19-20)14(15,16)17/h5,8-9,24H,2-4,6-7H2,1H3,(H,18,21)/t9-/m0/s1