methyl 3-(2-pyridin-4-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 3-(2-pyridin-4-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 3-[[2-(4-pyridylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-pyridin-4-ylsulfanylacetyl)amino]benzoate Traditional Name: 3-[[2-(4-pyridylthio)acetyl]amino]benzoic acid methyl ester Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=NC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C15H14N2O3S/c1-20-15(19)11-3-2-4-12(9-11)17-14(18)10-21-13-5-7-16-8-6-13/h2-9H,10H2,1H3,(H,17,18)