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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=NC(=CS3)C(=O)[O-])C=C(C=C2)Cl)CC(C)C.[Na+]

Isomeric SMILES

CC1=C(C2=C(N1C3=NC(=CS3)C(=O)[O-])C=C(C=C2)Cl)CC(C)C.[Na+]

InChI

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