2-[6-chloranyl-2-methyl-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[6-chloranyl-2-methyl-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(6-chloro-3-isobutyl-2-methyl-indol-1-yl)thiazole-4-carboxylic acid CAS Name: 2-[6-chloro-2-methyl-3-(2-methylpropyl)-1-indolyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[6-chloro-2-methyl-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(6-chloro-3-isobutyl-2-methyl-indol-1-yl)thiazole-4-carboxylic acid Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=NC(=CS3)C(=O)O)C=C(C=C2)Cl)CC(C)C

Isomeric SMILES

CC1=C(C2=C(N1C3=NC(=CS3)C(=O)O)C=C(C=C2)Cl)CC(C)C

InChI

InChI=1S/C17H17ClN2O2S/c1-9(2)6-13-10(3)20(15-7-11(18)4-5-12(13)15)17-19-14(8-23-17)16(21)22/h4-5,7-9H,6H2,1-3H3,(H,21,22)