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

Systemtic Name: sodium 2-[3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-(3-isobutylindol-1-yl)thiazole-4-carboxylate CAS Name: sodium 2-[3-(2-methylpropyl)-1-indolyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-(3-isobutylindol-1-yl)thiazole-4-carboxylate Formula: C16H15N2NaO2S MolecularWeight: 322.35727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN(C2=CC=CC=C21)C3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC1=CN(C2=CC=CC=C21)C3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H16N2O2S.Na/c1-10(2)7-11-8-18(14-6-4-3-5-12(11)14)16-17-13(9-21-16)15(19)20;/h3-6,8-10H,7H2,1-2H3,(H,19,20);/q;+1/p-1