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

Systemtic Name: [(7R)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-2-yl] 2-chloranylethanoate Openeye Name: [(7R)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] 2-chloroacetate CAS Name: 2-chloroacetic acid [(7R)-7-acetamido-1,3-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester IUPAC Name: [(7R)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(7R)-7-acetamido-9-keto-1,3-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester Formula: C23H24ClNO6S MolecularWeight: 477.95776

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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(=O)CCl)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClNO6S/c1-12(26)25-16-7-5-13-9-18(29-2)22(31-20(28)11-24)23(30-3)21(13)14-6-8-19(32-4)17(27)10-15(14)16/h6,8-10,16H,5,7,11H2,1-4H3,(H,25,26)/t16-/m1/s1