methyl (3aR,7aR)-1-[3-chloranyl-5-[[4-[2-fluoranyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylate

Systemtic Name: methyl (3aR,7aR)-1-[3-chloranyl-5-[[4-[2-fluoranyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylate Openeye Name: methyl (3aR,7aR)-1-[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]thiazol-2-yl]carbamoyl]-2-pyridyl]-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylate CAS Name: (3aR,7aR)-1-[3-chloro-5-[[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-thiazolyl]amino]-oxomethyl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-1-[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylate Traditional Name: (3aR,7aR)-1-[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]thiazol-2-yl]carbamoyl]-2-pyridyl]-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylic acid methyl ester Formula: C26H23ClF4N4O3S MolecularWeight: 582.997433

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2C1CCCC2)C3=C(C=C(C=N3)C(=O)NC4=NC(=CS4)C5=C(C(=CC=C5)C(F)(F)F)F)Cl

Isomeric SMILES

COC(=O)C1CN([C@H]2[C@@H]1CCCC2)C3=C(C=C(C=N3)C(=O)NC4=NC(=CS4)C5=C(C(=CC=C5)C(F)(F)F)F)Cl

InChI

InChI=1S/C26H23ClF4N4O3S/c1-38-24(37)16-11-35(20-8-3-2-5-14(16)20)22-18(27)9-13(10-32-22)23(36)34-25-33-19(12-39-25)15-6-4-7-17(21(15)28)26(29,30)31/h4,6-7,9-10,12,14,16,20H,2-3,5,8,11H2,1H3,(H,33,34,36)/t14-,16?,20-/m1/s1