3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-nitro-benzoic acid

Systemtic Name: 3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-nitro-benzoic acid Openeye Name: 3-cyclohexyl-4-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-5-nitro-benzoic acid CAS Name: 3-cyclohexyl-4-[2-(2,4-dimethyl-5-thiazolyl)-6-quinolinyl]-5-nitrobenzoic acid IUPAC Name: 3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-nitrobenzoic acid Traditional Name: 3-cyclohexyl-4-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-5-nitro-benzoic acid Formula: C27H25N3O4S MolecularWeight: 487.5701

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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(C=C(C=C4[N+](=O)[O-])C(=O)O)C5CCCCC5

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C=C(C=C4[N+](=O)[O-])C(=O)O)C5CCCCC5

InChI

InChI=1S/C27H25N3O4S/c1-15-26(35-16(2)28-15)23-11-8-18-12-19(9-10-22(18)29-23)25-21(17-6-4-3-5-7-17)13-20(27(31)32)14-24(25)30(33)34/h8-14,17H,3-7H2,1-2H3,(H,31,32)