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

Systemtic Name: N-(1,2,3-trimethoxy-9-methylsulfanyl-10-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide Openeye Name: N-(1,2,3-trimethoxy-9-methylsulfanyl-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide CAS Name: N-[1,2,3-trimethoxy-9-(methylthio)-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-(1,2,3-trimethoxy-9-methylsulfanyl-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide Traditional Name: N-[10-keto-1,2,3-trimethoxy-9-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)SC)OC)OC)OC

Isomeric SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)SC)OC)OC)OC

InChI

InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-17(25)19(29-5)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)