N-[(7S)-1,2,3-trimethoxy-11-methylsulfanyl-10-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: N-[(7S)-1,2,3-trimethoxy-11-methylsulfanyl-10-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-1,2,3-trimethoxy-11-methylsulfanyl-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-1,2,3-trimethoxy-11-(methylthio)-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-1,2,3-trimethoxy-11-methylsulfanyl-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-10-keto-1,2,3-trimethoxy-11-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=CC(=O)C(=C3)SC)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=CC(=O)C(=C3)SC)OC)OC)OC

InChI

InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)15-11-19(29-5)17(25)9-7-14(15)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1