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

Systemtic Name: sodium 2-[6-chloranyl-3-(2-methylpropanoyl)indol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[6-chloro-3-(2-methylpropanoyl)indol-1-yl]thiazole-4-carboxylate CAS Name: sodium 2-[6-chloro-3-(2-methyl-1-oxopropyl)-1-indolyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[6-chloro-3-(2-methylpropanoyl)indol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-(6-chloro-3-isobutyryl-indol-1-yl)thiazole-4-carboxylate Formula: C16H12ClN2NaO3S MolecularWeight: 370.78585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C(=O)C1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H13ClN2O3S.Na/c1-8(2)14(20)11-6-19(13-5-9(17)3-4-10(11)13)16-18-12(7-23-16)15(21)22;/h3-8H,1-2H3,(H,21,22);/q;+1/p-1