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

Systemtic Name: sodium 2-[6-chloranyl-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-(6-chloro-3-isobutyl-indol-1-yl)thiazole-4-carboxylate CAS Name: sodium 2-[6-chloro-3-(2-methylpropyl)-1-indolyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-(6-chloro-3-isobutyl-indol-1-yl)thiazole-4-carboxylate Formula: C16H14ClN2NaO2S MolecularWeight: 356.80233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O2S.Na/c1-9(2)5-10-7-19(14-6-11(17)3-4-12(10)14)16-18-13(8-22-16)15(20)21;/h3-4,6-9H,5H2,1-2H3,(H,20,21);/q;+1/p-1