ethyl 2-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H29FN2O2S2 MolecularWeight: 460.627663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3C(CCC4=C3C=CC(=C4)F)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3C(CCC4=C3C=CC(=C4)F)C

InChI

InChI=1S/C24H29FN2O2S2/c1-3-29-23(28)21-18-8-6-4-5-7-9-20(18)31-22(21)26-24(30)27-15(2)10-11-16-14-17(25)12-13-19(16)27/h12-15H,3-11H2,1-2H3,(H,26,30)