methyl 4-[(2-pyridin-2-ylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-pyridin-2-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[[2-(2-pyridylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(2-pyridinylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-pyridin-2-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(2-pyridylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C16H16N2O3S/c1-21-16(20)13-7-5-12(6-8-13)10-18-14(19)11-22-15-4-2-3-9-17-15/h2-9H,10-11H2,1H3,(H,18,19)