3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoranyl-quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoranyl-quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-7-fluoro-6-quinolyl]-1-(2-morpholino-2-oxo-ethyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-5-thiazolyl)-7-fluoro-6-quinolinyl]-1-[2-(4-morpholinyl)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoroquinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-7-fluoro-6-quinolyl]-1-(2-keto-2-morpholino-ethyl)indole-6-carboxylic acid Formula: C35H35FN4O4S MolecularWeight: 626.740203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C2=NC3=CC(=C(C=C3C=C2)C4=C(C5=C(N4CC(=O)N6CCOCC6)C=C(C=C5)C(=O)O)C7CCCCC7)F

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=CC(=C(C=C3C=C2)C4=C(C5=C(N4CC(=O)N6CCOCC6)C=C(C=C5)C(=O)O)C7CCCCC7)F

InChI

InChI=1S/C35H35FN4O4S/c1-20-34(45-21(2)37-20)28-11-9-23-16-26(27(36)18-29(23)38-28)33-32(22-6-4-3-5-7-22)25-10-8-24(35(42)43)17-30(25)40(33)19-31(41)39-12-14-44-15-13-39/h8-11,16-18,22H,3-7,12-15,19H2,1-2H3,(H,42,43)