2-(2-azanyl-1,3-thiazol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indole-6-carboxylic acid

Systemtic Name: 2-(2-azanyl-1,3-thiazol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indole-6-carboxylic acid Openeye Name: 2-(2-aminothiazol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 2-(2-amino-5-thiazolyl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 2-(2-amino-1,3-thiazol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]indole-6-carboxylic acid Traditional Name: 2-(2-aminothiazol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]indole-6-carboxylic acid Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CN=C(S3)N)C4CCCCC4

Isomeric SMILES

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CN=C(S3)N)C4CCCCC4

InChI

InChI=1S/C22H26N4O3S/c1-25(2)18(27)12-26-16-10-14(21(28)29)8-9-15(16)19(13-6-4-3-5-7-13)20(26)17-11-24-22(23)30-17/h8-11,13H,3-7,12H2,1-2H3,(H2,23,24)(H,28,29)