2-[2-(tert-butylamino)-1,3-thiazol-4-yl]-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid

Systemtic Name: 2-[2-(tert-butylamino)-1,3-thiazol-4-yl]-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid Openeye Name: 2-[2-(tert-butylamino)thiazol-4-yl]-3-cyclohexyl-1-(2-morpholino-2-oxo-ethyl)indole-6-carboxylic acid CAS Name: 2-[2-(tert-butylamino)-4-thiazolyl]-3-cyclohexyl-1-[2-(4-morpholinyl)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 2-[2-(tert-butylamino)-1,3-thiazol-4-yl]-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid Traditional Name: 2-[2-(tert-butylamino)thiazol-4-yl]-3-cyclohexyl-1-(2-keto-2-morpholino-ethyl)indole-6-carboxylic acid Formula: C28H36N4O4S MolecularWeight: 524.67484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=CS1)C2=C(C3=C(N2CC(=O)N4CCOCC4)C=C(C=C3)C(=O)O)C5CCCCC5

Isomeric SMILES

CC(C)(C)NC1=NC(=CS1)C2=C(C3=C(N2CC(=O)N4CCOCC4)C=C(C=C3)C(=O)O)C5CCCCC5

InChI

InChI=1S/C28H36N4O4S/c1-28(2,3)30-27-29-21(17-37-27)25-24(18-7-5-4-6-8-18)20-10-9-19(26(34)35)15-22(20)32(25)16-23(33)31-11-13-36-14-12-31/h9-10,15,17-18H,4-8,11-14,16H2,1-3H3,(H,29,30)(H,34,35)