1,3-dimethoxy-7-(methylamino)-10-methylsulfanyl-2-oxidanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: 1,3-dimethoxy-7-(methylamino)-10-methylsulfanyl-2-oxidanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: 2-hydroxy-1,3-dimethoxy-7-(methylamino)-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: 2-hydroxy-1,3-dimethoxy-7-(methylamino)-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: 2-hydroxy-1,3-dimethoxy-7-(methylamino)-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: 2-hydroxy-1,3-dimethoxy-7-(methylamino)-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)O)OC

Isomeric SMILES

CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)O)OC

InChI

InChI=1S/C20H23NO4S/c1-21-14-7-5-11-9-16(24-2)19(23)20(25-3)18(11)12-6-8-17(26-4)15(22)10-13(12)14/h6,8-10,14,21,23H,5,7H2,1-4H3