2-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]ethanamide

Systemtic Name: 2-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]ethanamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide CAS Name: 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide IUPAC Name: 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-(1,1-diketo-2,3-dihydrothiophen-3-yl)acetamide Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)CC2CS(=O)(=O)C=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)CC2CS(=O)(=O)C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-26-20-11-17(7-8-19(20)27-14-16-5-3-2-4-6-16)13-22-21(23)12-18-9-10-28(24,25)15-18/h2-11,18H,12-15H2,1H3,(H,22,23)