ethyl 2-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25FN2O2S2 MolecularWeight: 432.574503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3C(CCC4=C3C=CC(=C4)F)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3C(CCC4=C3C=CC(=C4)F)C

InChI

InChI=1S/C22H25FN2O2S2/c1-3-27-21(26)19-16-6-4-5-7-18(16)29-20(19)24-22(28)25-13(2)8-9-14-12-15(23)10-11-17(14)25/h10-13H,3-9H2,1-2H3,(H,24,28)