1,2,3-trimethoxy-10-methylsulfanyl-7-[(phenylmethylidene)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: 1,2,3-trimethoxy-10-methylsulfanyl-7-[(phenylmethylidene)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: 7-(benzylideneamino)-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: 1,2,3-trimethoxy-10-(methylthio)-7-[(phenylmethylene)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: 7-(benzylideneamino)-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: 7-(benzalamino)-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N=CC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N=CC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H27NO4S/c1-30-23-14-18-10-12-21(28-16-17-8-6-5-7-9-17)20-15-22(29)24(33-4)13-11-19(20)25(18)27(32-3)26(23)31-2/h5-9,11,13-16,21H,10,12H2,1-4H3