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

Systemtic Name: N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide Openeye Name: N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide CAS Name: N-[3-ethoxy-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide Traditional Name: N-[3-ethoxy-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC

InChI

InChI=1S/C23H27NO5S/c1-6-29-19-11-14-7-9-17(24-13(2)25)16-12-18(26)20(30-5)10-8-15(16)21(14)23(28-4)22(19)27-3/h8,10-12,17H,6-7,9H2,1-5H3,(H,24,25)