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

Systemtic Name: [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-2-yl] N,N-dimethylcarbamate Openeye Name: [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid [(7S)-7-acetamido-1,3-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester IUPAC Name: [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid [(7S)-7-acetamido-9-keto-1,3-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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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)N(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O6S/c1-13(27)25-17-9-7-14-11-19(30-4)22(32-24(29)26(2)3)23(31-5)21(14)15-8-10-20(33-6)18(28)12-16(15)17/h8,10-12,17H,7,9H2,1-6H3,(H,25,27)/t17-/m0/s1