methyl 2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: methyl 2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: methyl 2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]propionic acid methyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CS)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4S/c1-28-23(27)21(15-30)25-22(26)19-10-9-16(14-29-18-8-5-11-24-13-18)12-20(19)17-6-3-2-4-7-17/h2-13,21,30H,14-15H2,1H3,(H,25,26)