O-[2-methyl-1-[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl] methanethioate

Systemtic Name: O-[2-methyl-1-[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl] methanethioate Openeye Name: O-[2-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]-2-piperidyl] methanethioate CAS Name: methanethioic acid O-[2-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]-2-piperidinyl] ester IUPAC Name: O-[2-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl] methanethioate Traditional Name: methanethioic acid O-[1-[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]-2-methyl-2-piperidyl] ester Formula: C17H17F3N2O2S MolecularWeight: 370.38929

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCN1C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F)OC=S

Isomeric SMILES

CC1(CCCCN1C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F)OC=S

InChI

InChI=1S/C17H17F3N2O2S/c1-16(24-10-25)6-2-3-7-22(16)11-4-5-14-12(8-11)13(17(18,19)20)9-15(23)21-14/h4-5,8-10H,2-3,6-7H2,1H3,(H,21,23)