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

Systemtic Name: (E)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxyphenyl)-2-cyano-N-(1,1-dioxothiolan-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-(4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxyphenyl)-2-cyano-N-(1,1-diketothiolan-3-yl)acrylamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H20N2O4S/c22-13-18(21(24)23-19-10-11-28(25,26)15-19)12-16-6-8-20(9-7-16)27-14-17-4-2-1-3-5-17/h1-9,12,19H,10-11,14-15H2,(H,23,24)/b18-12+