N-(1,2-dimethoxy-10-methylsulfanyl-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-2-ethenoxy-ethanamide

Systemtic Name: N-(1,2-dimethoxy-10-methylsulfanyl-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-2-ethenoxy-ethanamide Openeye Name: N-(3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-2-vinyloxy-acetamide CAS Name: 2-ethenoxy-N-[3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: 2-ethenoxy-N-(3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide Traditional Name: N-[3-hydroxy-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-2-vinyloxy-acetamide Formula: C23H25NO6S MolecularWeight: 443.5127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCC(C3=CC(=O)C(=CC=C3C2=C1OC)SC)NC(=O)COC=C)O

Isomeric SMILES

COC1=C(C=C2CCC(C3=CC(=O)C(=CC=C3C2=C1OC)SC)NC(=O)COC=C)O

InChI

InChI=1S/C23H25NO6S/c1-5-30-12-20(27)24-16-8-6-13-10-18(26)22(28-2)23(29-3)21(13)14-7-9-19(31-4)17(25)11-15(14)16/h5,7,9-11,16,26H,1,6,8,12H2,2-4H3,(H,24,27)