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

Systemtic Name: sodium 2-[2-[6-chloranyl-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]ethanoate Openeye Name: sodium 2-[2-(6-chloro-3-isobutyl-indol-1-yl)thiazol-4-yl]acetate CAS Name: sodium 2-[2-[6-chloro-3-(2-methylpropyl)-1-indolyl]-4-thiazolyl]acetate IUPAC Name: sodium 2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]acetate Traditional Name: sodium 2-[2-(6-chloro-3-isobutyl-indol-1-yl)thiazol-4-yl]acetate Formula: C17H16ClN2NaO2S MolecularWeight: 370.82891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O2S.Na/c1-10(2)5-11-8-20(15-6-12(18)3-4-14(11)15)17-19-13(9-23-17)7-16(21)22;/h3-4,6,8-10H,5,7H2,1-2H3,(H,21,22);/q;+1/p-1