3-cyclopentyl-2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-cyclopentyl-2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-cyclopentyl-2-[2-(3,3-dimethylbutanoylamino)thiazol-4-yl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-cyclopentyl-2-[2-[(3,3-dimethyl-1-oxobutyl)amino]-4-thiazolyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-cyclopentyl-2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]-1-methylindole-6-carboxylic acid Traditional Name: 3-cyclopentyl-2-[2-(3,3-dimethylbutanoylamino)thiazol-4-yl]-1-methyl-indole-6-carboxylic acid Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=NC(=CS1)C2=C(C3=C(N2C)C=C(C=C3)C(=O)O)C4CCCC4

Isomeric SMILES

CC(C)(C)CC(=O)NC1=NC(=CS1)C2=C(C3=C(N2C)C=C(C=C3)C(=O)O)C4CCCC4

InChI

InChI=1S/C24H29N3O3S/c1-24(2,3)12-19(28)26-23-25-17(13-31-23)21-20(14-7-5-6-8-14)16-10-9-15(22(29)30)11-18(16)27(21)4/h9-11,13-14H,5-8,12H2,1-4H3,(H,29,30)(H,25,26,28)