2-(4-methanoylphenoxy)-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide

Systemtic Name: 2-(4-methanoylphenoxy)-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide Openeye Name: 2-(4-formylphenoxy)-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide CAS Name: 2-(4-formylphenoxy)-N-[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: 2-(4-formylphenoxy)-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide Traditional Name: 2-(4-formylphenoxy)-N-[9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C29H29NO7S MolecularWeight: 535.60806

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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)COC4=CC=C(C=C4)C=O)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)COC4=CC=C(C=C4)C=O)OC)OC

InChI

InChI=1S/C29H29NO7S/c1-34-24-13-18-7-11-22(30-26(33)16-37-19-8-5-17(15-31)6-9-19)21-14-23(32)25(38-4)12-10-20(21)27(18)29(36-3)28(24)35-2/h5-6,8-10,12-15,22H,7,11,16H2,1-4H3,(H,30,33)