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

Systemtic Name: methyl 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H16N2O4S/c1-23-17(22)13-8-6-12(7-9-13)10-19-16(21)11-25-18-20-14-4-2-3-5-15(14)24-18/h2-9H,10-11H2,1H3,(H,19,21)