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

Systemtic Name: sodium 2-(6-chloranyl-3-propyl-indol-1-yl)-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-(6-chloro-3-propyl-indol-1-yl)thiazole-4-carboxylate CAS Name: sodium 2-(6-chloro-3-propyl-1-indolyl)-4-thiazolecarboxylate IUPAC Name: sodium 2-(6-chloro-3-propylindol-1-yl)-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-(6-chloro-3-propyl-indol-1-yl)thiazole-4-carboxylate Formula: C15H12ClN2NaO2S MolecularWeight: 342.77575

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H13ClN2O2S.Na/c1-2-3-9-7-18(13-6-10(16)4-5-11(9)13)15-17-12(8-21-15)14(19)20;/h4-8H,2-3H2,1H3,(H,19,20);/q;+1/p-1