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

Systemtic Name: 3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: 3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]benzoate Formula: C16H11N2O4S- MolecularWeight: 327.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c19-14(17-11-5-3-4-10(8-11)15(20)21)9-23-16-18-12-6-1-2-7-13(12)22-16/h1-8H,9H2,(H,17,19)(H,20,21)/p-1