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

Systemtic Name: methyl 4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-(3-pyridylmethylsulfanyl)benzoyl]amino]benzoate CAS Name: 4-[[oxo-[4-(3-pyridinylmethylthio)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(pyridin-3-ylmethylsulfanyl)benzoyl]amino]benzoate Traditional Name: 4-[[4-(3-pyridylmethylthio)benzoyl]amino]benzoic acid methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-26-21(25)17-4-8-18(9-5-17)23-20(24)16-6-10-19(11-7-16)27-14-15-3-2-12-22-13-15/h2-13H,14H2,1H3,(H,23,24)