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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)CC3=NC(=CS3)C(=O)O

Isomeric SMILES

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)CC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C17H17ClN2O2S/c1-10(2)5-11-7-20(15-6-12(18)3-4-13(11)15)8-16-19-14(9-23-16)17(21)22/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,21,22)