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

Systemtic Name: sodium 2-[6-methyl-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-(3-isobutyl-6-methyl-indol-1-yl)thiazole-4-carboxylate CAS Name: sodium 2-[6-methyl-3-(2-methylpropyl)-1-indolyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[6-methyl-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-(3-isobutyl-6-methyl-indol-1-yl)thiazole-4-carboxylate Formula: C17H17N2NaO2S MolecularWeight: 336.38385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CN2C3=NC(=CS3)C(=O)[O-])CC(C)C.[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CN2C3=NC(=CS3)C(=O)[O-])CC(C)C.[Na+]

InChI

InChI=1S/C17H18N2O2S.Na/c1-10(2)6-12-8-19(15-7-11(3)4-5-13(12)15)17-18-14(9-22-17)16(20)21;/h4-5,7-10H,6H2,1-3H3,(H,20,21);/q;+1/p-1