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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(CC3=CC(=O)C(=CC=C3C2=C1OC)SC)NC=O)O

Isomeric SMILES

COC1=C(C=C2CC(CC3=CC(=O)C(=CC=C3C2=C1OC)SC)NC=O)O

InChI

InChI=1S/C20H21NO5S/c1-25-19-16(24)9-12-7-13(21-10-22)6-11-8-15(23)17(27-3)5-4-14(11)18(12)20(19)26-2/h4-5,8-10,13,24H,6-7H2,1-3H3,(H,21,22)