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

Systemtic Name: methyl 4-methyl-3-(2-pyridin-2-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-methyl-3-[[2-(2-pyridylsulfanyl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-methyl-3-[[2-(2-pyridylthio)acetyl]amino]benzoic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=CC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C16H16N2O3S/c1-11-6-7-12(16(20)21-2)9-13(11)18-14(19)10-22-15-5-3-4-8-17-15/h3-9H,10H2,1-2H3,(H,18,19)