N-(1,2-dimethoxy-10-methylsulfinyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide

Systemtic Name: N-(1,2-dimethoxy-10-methylsulfinyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide Openeye Name: N-(1,2-dimethoxy-10-methylsulfinyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide CAS Name: N-(1,2-dimethoxy-10-methylsulfinyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide IUPAC Name: N-(1,2-dimethoxy-10-methylsulfinyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide Traditional Name: N-(9-keto-1,2-dimethoxy-10-methylsulfinyl-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)S(=O)C)C(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)S(=O)C)C(=C(C=C2)OC)OC

InChI

InChI=1S/C21H23NO5S/c1-12(23)22-16-8-5-13-6-9-18(26-2)21(27-3)20(13)14-7-10-19(28(4)25)17(24)11-15(14)16/h6-7,9-11,16H,5,8H2,1-4H3,(H,22,23)