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

Systemtic Name: methyl 2-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H25FN2O2S2 MolecularWeight: 432.574503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=S)NC3=C(C4=C(S3)CCCCC4)C(=O)OC)C=CC(=C2)F

Isomeric SMILES

CC1CCC2=C(N1C(=S)NC3=C(C4=C(S3)CCCCC4)C(=O)OC)C=CC(=C2)F

InChI

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