[(7S)-7-acetamido-2,3-dimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-1-yl] ethanoate

Systemtic Name: [(7S)-7-acetamido-2,3-dimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-1-yl] ethanoate Openeye Name: [(7S)-7-acetamido-2,3-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-1-yl] acetate CAS Name: acetic acid [(7S)-7-acetamido-2,3-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-1-yl] ester IUPAC Name: [(7S)-7-acetamido-2,3-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-1-yl] acetate Traditional Name: acetic acid [(7S)-7-acetamido-9-keto-2,3-dimethoxy-6,7-dihydro-5H-benzo[a]heptalen-1-yl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=CC(=O)C=C13)OC(=O)C)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=CC(=O)C=C13)OC(=O)C)OC)OC

InChI

InChI=1S/C22H23NO6/c1-12(24)23-18-9-8-14-10-19(27-3)21(28-4)22(29-13(2)25)20(14)16-7-5-6-15(26)11-17(16)18/h5-7,10-11,18H,8-9H2,1-4H3,(H,23,24)/t18-/m0/s1