4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]benzoate Formula: C16H11N2O3S2- MolecularWeight: 343.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

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