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

Systemtic Name: 2-[6-methyl-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(3-isobutyl-6-methyl-indol-1-yl)thiazole-4-carboxylic acid CAS Name: 2-[6-methyl-3-(2-methylpropyl)-1-indolyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[6-methyl-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(3-isobutyl-6-methyl-indol-1-yl)thiazole-4-carboxylic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CN2C3=NC(=CS3)C(=O)O)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CN2C3=NC(=CS3)C(=O)O)CC(C)C

InChI

InChI=1S/C17H18N2O2S/c1-10(2)6-12-8-19(15-7-11(3)4-5-13(12)15)17-18-14(9-22-17)16(20)21/h4-5,7-10H,6H2,1-3H3,(H,20,21)