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

Systemtic Name: methyl 4-[(2-pyridin-2-ylsulfanylpropanoylamino)methyl]benzoate Openeye Name: methyl 4-[[2-(2-pyridylsulfanyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(2-pyridinylthio)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-pyridin-2-ylsulfanylpropanoylamino)methyl]benzoate Traditional Name: 4-[[2-(2-pyridylthio)propanoylamino]methyl]benzoic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=CC=CC=N2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=CC=CC=N2

InChI

InChI=1S/C17H18N2O3S/c1-12(23-15-5-3-4-10-18-15)16(20)19-11-13-6-8-14(9-7-13)17(21)22-2/h3-10,12H,11H2,1-2H3,(H,19,20)