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

Systemtic Name: 2-[6-chloranyl-3-(3,3-dimethylbutyl)indol-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[6-chloro-3-(3,3-dimethylbutyl)indol-1-yl]thiazole-4-carboxylic acid CAS Name: 2-[6-chloro-3-(3,3-dimethylbutyl)-1-indolyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[6-chloro-3-(3,3-dimethylbutyl)indol-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[6-chloro-3-(3,3-dimethylbutyl)indol-1-yl]thiazole-4-carboxylic acid Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)O

Isomeric SMILES

CC(C)(C)CCC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)O

InChI

InChI=1S/C18H19ClN2O2S/c1-18(2,3)7-6-11-9-21(15-8-12(19)4-5-13(11)15)17-20-14(10-24-17)16(22)23/h4-5,8-10H,6-7H2,1-3H3,(H,22,23)