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

Systemtic Name: N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-2-ethoxy-ethanamide Openeye Name: 2-ethoxy-N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: 2-ethoxy-N-[(7S)-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: 2-ethoxy-N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: 2-ethoxy-N-[(7S)-3-hydroxy-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-5-30-12-20(27)24-16-8-6-13-10-18(26)22(28-2)23(29-3)21(13)14-7-9-19(31-4)17(25)11-15(14)16/h7,9-11,16,26H,5-6,8,12H2,1-4H3,(H,24,27)/t16-/m0/s1