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

Systemtic Name: N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-oxidanylidene-butanamide Openeye Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-oxo-butanamide CAS Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-oxobutanamide IUPAC Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-oxobutanamide Traditional Name: N-[(7S)-3-hydroxy-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-keto-butyramide Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6S/c1-12(25)9-20(28)24-16-7-5-13-10-18(27)22(29-2)23(30-3)21(13)14-6-8-19(31-4)17(26)11-15(14)16/h6,8,10-11,16,27H,5,7,9H2,1-4H3,(H,24,28)/t16-/m0/s1