1,2-dimethoxy-10-methylsulfanyl-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide

Systemtic Name: 1,2-dimethoxy-10-methylsulfanyl-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide Openeye Name: 3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide CAS Name: 3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide IUPAC Name: 3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide Traditional Name: 3-hydroxy-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-25-18-15(23)8-10-4-5-12(20(21)24)13-9-14(22)16(27-3)7-6-11(13)17(10)19(18)26-2/h6-9,12,23H,4-5H2,1-3H3,(H2,21,24)