sodium 2-(6-chloranyl-3-ethyl-indol-1-yl)-1,3-thiazole-4-carboxylate

Systemtic Name: sodium 2-(6-chloranyl-3-ethyl-indol-1-yl)-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-(6-chloro-3-ethyl-indol-1-yl)thiazole-4-carboxylate CAS Name: sodium 2-(6-chloro-3-ethyl-1-indolyl)-4-thiazolecarboxylate IUPAC Name: sodium 2-(6-chloro-3-ethylindol-1-yl)-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-(6-chloro-3-ethyl-indol-1-yl)thiazole-4-carboxylate Formula: C14H10ClN2NaO2S MolecularWeight: 328.74917

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

CCC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H11ClN2O2S.Na/c1-2-8-6-17(12-5-9(15)3-4-10(8)12)14-16-11(7-20-14)13(18)19;/h3-7H,2H2,1H3,(H,18,19);/q;+1/p-1