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

Systemtic Name: ethyl 2-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5-methyl-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)N3C(CCC4=C3C=CC(=C4)F)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3C(CCC4=C3C=CC(=C4)F)C

InChI

InChI=1S/C25H25FN2O2S2/c1-4-30-24(29)22-21(17-8-6-5-7-9-17)16(3)32-23(22)27-25(31)28-15(2)10-11-18-14-19(26)12-13-20(18)28/h5-9,12-15H,4,10-11H2,1-3H3,(H,27,31)