S-[2-[(4-cyano-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate

Systemtic Name: S-[2-[(4-cyano-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-(4-cyano-2-fluoro-anilino)-2-oxo-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate CAS Name: 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioic acid S-[2-(4-cyano-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(4-cyano-2-fluoroanilino)-2-oxoethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Traditional Name: 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioic acid S-[2-(4-cyano-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H18FN3O2S MolecularWeight: 383.439223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C20H18FN3O2S/c1-13-4-7-18-15(9-13)3-2-8-24(18)20(26)27-12-19(25)23-17-6-5-14(11-22)10-16(17)21/h4-7,9-10H,2-3,8,12H2,1H3,(H,23,25)