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

Systemtic Name: ethyl 2-[[(2R)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H25FN2O2S2 MolecularWeight: 468.606603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3C(CCC4=C3C=CC(=C4)F)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3[C@@H](CCC4=C3C=CC(=C4)F)C

InChI

InChI=1S/C25H25FN2O2S2/c1-3-30-24(29)21-15-20(13-17-7-5-4-6-8-17)32-23(21)27-25(31)28-16(2)9-10-18-14-19(26)11-12-22(18)28/h4-8,11-12,14-16H,3,9-10,13H2,1-2H3,(H,27,31)/t16-/m1/s1