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

Systemtic Name: 3-cyclopentyl-2-[2-(2-dimethylaminoethylamino)-1,3-thiazol-4-yl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-cyclopentyl-2-[2-(2-dimethylaminoethylamino)thiazol-4-yl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-cyclopentyl-2-[2-(2-dimethylaminoethylamino)-4-thiazolyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-cyclopentyl-2-[2-(2-dimethylaminoethylamino)-1,3-thiazol-4-yl]-1-methylindole-6-carboxylic acid Traditional Name: 3-cyclopentyl-2-[2-(2-dimethylaminoethylamino)thiazol-4-yl]-1-methyl-indole-6-carboxylic acid Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-25(2)11-10-23-22-24-17(13-29-22)20-19(14-6-4-5-7-14)16-9-8-15(21(27)28)12-18(16)26(20)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,23,24)(H,27,28)