N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-cyano-2-methoxy-phenoxy)-N-phenyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-cyano-2-methoxy-phenoxy)-N-phenyl-ethanamide Openeye Name: 2-(4-cyano-2-methoxy-phenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenyl-acetamide CAS Name: 2-(4-cyano-2-methoxyphenoxy)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-phenylacetamide IUPAC Name: 2-(4-cyano-2-methoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide Traditional Name: 2-(4-cyano-2-methoxy-phenoxy)-N-[(3S)-1,1-diketothiolan-3-yl]-N-phenyl-acetamide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5S/c1-26-19-11-15(12-21)7-8-18(19)27-13-20(23)22(16-5-3-2-4-6-16)17-9-10-28(24,25)14-17/h2-8,11,17H,9-10,13-14H2,1H3/t17-/m0/s1