(7E)-7-hydroxyimino-1,2,3-trimethoxy-10-methylsulfanyl-5,6-dihydrobenzo[a]heptalen-9-one

Systemtic Name: (7E)-7-hydroxyimino-1,2,3-trimethoxy-10-methylsulfanyl-5,6-dihydrobenzo[a]heptalen-9-one Openeye Name: (7E)-7-hydroxyimino-1,2,3-trimethoxy-10-methylsulfanyl-5,6-dihydrobenzo[a]heptalen-9-one CAS Name: (7E)-7-hydroxyimino-1,2,3-trimethoxy-10-(methylthio)-5,6-dihydrobenzo[a]heptalen-9-one IUPAC Name: (7E)-7-hydroxyimino-1,2,3-trimethoxy-10-methylsulfanyl-5,6-dihydrobenzo[a]heptalen-9-one Traditional Name: (7E)-7-hydroximino-1,2,3-trimethoxy-10-(methylthio)-5,6-dihydrobenzo[a]heptalen-9-one Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(=NO)C3=CC(=O)C(=CC=C32)SC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-24-16-9-11-5-7-14(21-23)13-10-15(22)17(27-4)8-6-12(13)18(11)20(26-3)19(16)25-2/h6,8-10,23H,5,7H2,1-4H3/b21-14+