methyl 2-[[(2R)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(2R)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H21FN2O2S2 MolecularWeight: 440.553443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC)C=CC(=C2)F

Isomeric SMILES

C[C@@H]1CCC2=C(N1C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC)C=CC(=C2)F

InChI

InChI=1S/C23H21FN2O2S2/c1-14-8-9-16-12-17(24)10-11-19(16)26(14)23(29)25-21-18(22(27)28-2)13-20(30-21)15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,25,29)/t14-/m1/s1