sodium 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate

Systemtic Name: sodium 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Openeye Name: sodium 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate CAS Name: sodium 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate IUPAC Name: sodium 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Traditional Name: sodium 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Formula: C14H12NNaO2S MolecularWeight: 281.30535

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)SC(=N2)C3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC(C2=C(C1)SC(=N2)C3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H13NO2S.Na/c16-14(17)10-7-4-8-11-12(10)15-13(18-11)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,16,17);/q;+1/p-1