sodium 2-[6-chloranyl-3-(2,2-dimethylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: sodium 2-[6-chloranyl-3-(2,2-dimethylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[6-chloro-3-(2,2-dimethylpropyl)indol-1-yl]thiazole-4-carboxylate CAS Name: sodium 2-[6-chloro-3-(2,2-dimethylpropyl)-1-indolyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[6-chloro-3-(2,2-dimethylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-(6-chloro-3-neopentyl-indol-1-yl)thiazole-4-carboxylate Formula: C17H16ClN2NaO2S MolecularWeight: 370.82891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)CC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

InChI

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