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

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

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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-].[Na+]

Isomeric SMILES

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)CC3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H17ClN2O2S.Na/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);/q;+1/p-1