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

Systemtic Name: sodium 2-[6-chloranyl-3-(phenylmethyl)indol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-(3-benzyl-6-chloro-indol-1-yl)thiazole-4-carboxylate CAS Name: sodium 2-[6-chloro-3-(phenylmethyl)-1-indolyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-(3-benzyl-6-chloroindol-1-yl)-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-(3-benzyl-6-chloro-indol-1-yl)thiazole-4-carboxylate Formula: C19H12ClN2NaO2S MolecularWeight: 390.81855

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C3=C2C=CC(=C3)Cl)C4=NC(=CS4)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C3=C2C=CC(=C3)Cl)C4=NC(=CS4)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H13ClN2O2S.Na/c20-14-6-7-15-13(8-12-4-2-1-3-5-12)10-22(17(15)9-14)19-21-16(11-25-19)18(23)24;/h1-7,9-11H,8H2,(H,23,24);/q;+1/p-1