N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)adamantane-1-carboxamide

Systemtic Name: N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)adamantane-1-carboxamide Openeye Name: N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)adamantane-1-carboxamide CAS Name: N-[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-1-adamantanecarboxamide IUPAC Name: N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)adamantane-1-carboxamide Traditional Name: N-[9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide Formula: C31H37NO5S MolecularWeight: 535.69418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C45CC6CC(C4)CC(C6)C5)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C45CC6CC(C4)CC(C6)C5)OC)OC

InChI

InChI=1S/C31H37NO5S/c1-35-25-12-20-5-7-23(32-30(34)31-14-17-9-18(15-31)11-19(10-17)16-31)22-13-24(33)26(38-4)8-6-21(22)27(20)29(37-3)28(25)36-2/h6,8,12-13,17-19,23H,5,7,9-11,14-16H2,1-4H3,(H,32,34)