methyl 3-methyl-4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-methyl-4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 3-methyl-4-[[4-(3-pyridylmethylsulfanyl)benzoyl]amino]benzoate CAS Name: 3-methyl-4-[[oxo-[4-(3-pyridinylmethylthio)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[4-(pyridin-3-ylmethylsulfanyl)benzoyl]amino]benzoate Traditional Name: 3-methyl-4-[[4-(3-pyridylmethylthio)benzoyl]amino]benzoic acid methyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-15-12-18(22(26)27-2)7-10-20(15)24-21(25)17-5-8-19(9-6-17)28-14-16-4-3-11-23-13-16/h3-13H,14H2,1-2H3,(H,24,25)