3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)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)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)-6-quinolyl]-1-(2-morpholino-2-oxo-ethyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-5-thiazolyl)-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)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-1-(2-keto-2-morpholino-ethyl)indole-6-carboxylic acid Formula: C35H36N4O4S MolecularWeight: 608.74974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C5=C(N4CC(=O)N6CCOCC6)C=C(C=C5)C(=O)O)C7CCCCC7

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C5=C(N4CC(=O)N6CCOCC6)C=C(C=C5)C(=O)O)C7CCCCC7

InChI

InChI=1S/C35H36N4O4S/c1-21-34(44-22(2)36-21)29-13-9-24-18-25(10-12-28(24)37-29)33-32(23-6-4-3-5-7-23)27-11-8-26(35(41)42)19-30(27)39(33)20-31(40)38-14-16-43-17-15-38/h8-13,18-19,23H,3-7,14-17,20H2,1-2H3,(H,41,42)