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

Systemtic Name: [(7S)-7-(butanoylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] butanoate Openeye Name: [(7S)-7-(butanoylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] butanoate CAS Name: butanoic acid [(7S)-1,2-dimethoxy-10-(methylthio)-9-oxo-7-(1-oxobutylamino)-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester IUPAC Name: [(7S)-7-(butanoylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] butanoate Traditional Name: butyric acid [(7S)-7-butyramido-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester Formula: C27H33NO6S MolecularWeight: 499.61902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO6S/c1-6-8-23(30)28-19-12-10-16-14-21(34-24(31)9-7-2)26(32-3)27(33-4)25(16)17-11-13-22(35-5)20(29)15-18(17)19/h11,13-15,19H,6-10,12H2,1-5H3,(H,28,30)/t19-/m0/s1