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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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