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

Systemtic Name: 3-cyclopentyl-1-methyl-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]indole-6-carboxylic acid Openeye Name: 3-cyclopentyl-1-methyl-2-[2-(2-methylpropanoylamino)thiazol-4-yl]indole-6-carboxylic acid CAS Name: 3-cyclopentyl-1-methyl-2-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclopentyl-1-methyl-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]indole-6-carboxylic acid Traditional Name: 3-cyclopentyl-2-[2-(isobutyrylamino)thiazol-4-yl]-1-methyl-indole-6-carboxylic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-12(2)20(26)24-22-23-16(11-29-22)19-18(13-6-4-5-7-13)15-9-8-14(21(27)28)10-17(15)25(19)3/h8-13H,4-7H2,1-3H3,(H,27,28)(H,23,24,26)