2-[[(2R)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[[(2R)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylic acid Openeye Name: 2-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid CAS Name: 2-[[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid IUPAC Name: 2-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]-5-methylthiophene-3-carboxylic acid Traditional Name: 2-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]-5-methyl-3-thenoic acid Formula: C17H17FN2O2S2 MolecularWeight: 364.457483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CCC2=C(N1C(=S)NC3=C(C=C(S3)C)C(=O)O)C=CC(=C2)F

InChI

InChI=1S/C17H17FN2O2S2/c1-9-3-4-11-8-12(18)5-6-14(11)20(9)17(23)19-15-13(16(21)22)7-10(2)24-15/h5-9H,3-4H2,1-2H3,(H,19,23)(H,21,22)/t9-/m1/s1