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

Systemtic Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ethanoate Openeye Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] acetate CAS Name: acetic acid [(7S)-7-acetamido-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester IUPAC Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] acetate Traditional Name: acetic acid [(7S)-7-acetamido-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6S/c1-12(25)24-17-8-6-14-10-19(30-13(2)26)22(28-3)23(29-4)21(14)15-7-9-20(31-5)18(27)11-16(15)17/h7,9-11,17H,6,8H2,1-5H3,(H,24,25)/t17-/m0/s1