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

Systemtic Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] butyl carbonate Openeye Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] butyl carbonate CAS Name: carbonic acid [(7S)-7-acetamido-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] butyl ester IUPAC Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] butyl carbonate Traditional Name: carbonic acid [(7S)-7-acetamido-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-3-yl] butyl ester Formula: C26H31NO7S MolecularWeight: 501.59184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC

Isomeric SMILES

CCCCOC(=O)OC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC

InChI

InChI=1S/C26H31NO7S/c1-6-7-12-33-26(30)34-21-13-16-8-10-19(27-15(2)28)18-14-20(29)22(35-5)11-9-17(18)23(16)25(32-4)24(21)31-3/h9,11,13-14,19H,6-8,10,12H2,1-5H3,(H,27,28)/t19-/m0/s1