methyl 3-[2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H20N4O4S MolecularWeight: 460.505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H20N4O4S/c1-15-20(22(30)28-18-8-4-3-5-9-18)12-17(13-25)23(26-15)33-14-21(29)27-19-10-6-7-16(11-19)24(31)32-2/h3-12H,14H2,1-2H3,(H,27,29)(H,28,30)