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

Systemtic Name: [(7S)-7-(butanoylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ethanoate Openeye Name: [(7S)-7-(butanoylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [(7S)-7-butyramido-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester Formula: C25H29NO6S MolecularWeight: 471.56586

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO6S/c1-6-7-22(29)26-18-10-8-15-12-20(32-14(2)27)24(30-3)25(31-4)23(15)16-9-11-21(33-5)19(28)13-17(16)18/h9,11-13,18H,6-8,10H2,1-5H3,(H,26,29)/t18-/m0/s1