methyl 3-[[3-(pyridin-3-ylmethoxy)phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[3-(pyridin-3-ylmethoxy)phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[3-(3-pyridylmethoxy)benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[oxo-[3-(3-pyridinylmethoxy)phenyl]methyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[3-(3-pyridylmethoxy)benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC(=CC=C2)OCC3=CN=CC=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC(=CC=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-26-20(24)12-18(19-8-4-10-28-19)23-21(25)16-6-2-7-17(11-16)27-14-15-5-3-9-22-13-15/h2-11,13,18H,12,14H2,1H3,(H,23,25)