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

Systemtic Name: 1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide Openeye Name: 1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide CAS Name: 1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide IUPAC Name: 1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide Traditional Name: 9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalene-7-carboxamide Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)C(=O)N)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)C(=O)N)OC)OC

InChI

InChI=1S/C21H23NO5S/c1-25-16-9-11-5-6-13(21(22)24)14-10-15(23)17(28-4)8-7-12(14)18(11)20(27-3)19(16)26-2/h7-10,13H,5-6H2,1-4H3,(H2,22,24)