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

Systemtic Name: 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]methyl]benzoate Formula: C17H13N2O4S- MolecularWeight: 341.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c20-15(18-9-11-5-7-12(8-6-11)16(21)22)10-24-17-19-13-3-1-2-4-14(13)23-17/h1-8H,9-10H2,(H,18,20)(H,21,22)/p-1