(E)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-cyano-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-cyano-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-2-cyano-N-(1,1-dioxothiolan-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-2-cyano-N-(1,1-diketothiolan-3-yl)acrylamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCS(=O)(=O)C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2CCS(=O)(=O)C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5S/c1-28-21-12-17(7-8-20(21)29-14-16-5-3-2-4-6-16)11-18(13-23)22(25)24-19-9-10-30(26,27)15-19/h2-8,11-12,19H,9-10,14-15H2,1H3,(H,24,25)/b18-11+