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

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

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)NC=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-25-16-8-11-4-6-14(21-10-22)13-9-15(23)17(27-3)7-5-12(13)18(11)20(26-2)19(16)24/h5,7-10,14,24H,4,6H2,1-3H3,(H,21,22)