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

Systemtic Name: 3-cyclopentyl-2-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-cyclopentyl-2-[2-(2-methoxyethylamino)thiazol-4-yl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-cyclopentyl-2-[2-(2-methoxyethylamino)-4-thiazolyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-cyclopentyl-2-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-1-methylindole-6-carboxylic acid Traditional Name: 3-cyclopentyl-2-[2-(2-methoxyethylamino)thiazol-4-yl]-1-methyl-indole-6-carboxylic acid Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CSC(=N3)NCCOC)C4CCCC4

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CSC(=N3)NCCOC)C4CCCC4

InChI

InChI=1S/C21H25N3O3S/c1-24-17-11-14(20(25)26)7-8-15(17)18(13-5-3-4-6-13)19(24)16-12-28-21(23-16)22-9-10-27-2/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,22,23)(H,25,26)