sodium 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: sodium 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: sodium 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: sodium 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]benzoate IUPAC Name: sodium 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: sodium 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]benzoate Formula: C16H11N2NaO3S2 MolecularWeight: 366.38991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3S2.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3S2.[Na+]

InChI

InChI=1S/C16H12N2O3S2.Na/c19-14(17-11-6-2-1-5-10(11)15(20)21)9-22-16-18-12-7-3-4-8-13(12)23-16;/h1-8H,9H2,(H,17,19)(H,20,21);/q;+1/p-1