methyl 4-[2-(3-cyanopyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-cyanopyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-cyano-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-cyanopyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-2-pyridyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C#N

InChI

InChI=1S/C16H13N3O3S/c1-22-16(21)11-4-6-13(7-5-11)19-14(20)10-23-15-12(9-17)3-2-8-18-15/h2-8H,10H2,1H3,(H,19,20)