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

Systemtic Name: N-[(7S)-5-methanoyl-1,2-dimethoxy-10-methylsulfanyl-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-5-formyl-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-5-formyl-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-5-formyl-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-5-formyl-3-hydroxy-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC(C2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O)C=O

Isomeric SMILES

CC(=O)N[C@H]1CC(C2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O)C=O

InChI

InChI=1S/C22H23NO6S/c1-11(25)23-16-7-12(10-24)14-8-18(27)21(28-2)22(29-3)20(14)13-5-6-19(30-4)17(26)9-15(13)16/h5-6,8-10,12,16,27H,7H2,1-4H3,(H,23,25)/t12?,16-/m0/s1