methyl 3-chloranyl-6-[[(2R)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(2R)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H18ClFN2O2S2 MolecularWeight: 448.961223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C=CC(=C2)F

Isomeric SMILES

C[C@@H]1CCC2=C(N1C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C=CC(=C2)F

InChI

InChI=1S/C21H18ClFN2O2S2/c1-11-3-4-12-9-13(23)5-8-16(12)25(11)21(28)24-14-6-7-15-17(10-14)29-19(18(15)22)20(26)27-2/h5-11H,3-4H2,1-2H3,(H,24,28)/t11-/m1/s1