N-[(7S)-3-(cyclopenten-1-yloxy)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-2,2,3,3,3-pentakis(fluoranyl)propanamide

Systemtic Name: N-[(7S)-3-(cyclopenten-1-yloxy)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-2,2,3,3,3-pentakis(fluoranyl)propanamide Openeye Name: N-[(7S)-3-(cyclopenten-1-yloxy)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-2,2,3,3,3-pentafluoro-propanamide CAS Name: N-[(7S)-3-(1-cyclopentenyloxy)-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-2,2,3,3,3-pentafluoropropanamide IUPAC Name: N-[(7S)-3-(cyclopenten-1-yloxy)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-2,2,3,3,3-pentafluoropropanamide Traditional Name: N-[(7S)-3-(cyclopenten-1-yloxy)-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-2,2,3,3,3-pentafluoro-propionamide Formula: C27H26F5NO5S MolecularWeight: 571.556056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCC(C3=CC(=O)C(=CC=C3C2=C1OC)SC)NC(=O)C(C(F)(F)F)(F)F)OC4=CCCC4

Isomeric SMILES

COC1=C(C=C2CC[C@@H](C3=CC(=O)C(=CC=C3C2=C1OC)SC)NC(=O)C(C(F)(F)F)(F)F)OC4=CCCC4

InChI

InChI=1S/C27H26F5NO5S/c1-36-23-20(38-15-6-4-5-7-15)12-14-8-10-18(33-25(35)26(28,29)27(30,31)32)17-13-19(34)21(39-3)11-9-16(17)22(14)24(23)37-2/h6,9,11-13,18H,4-5,7-8,10H2,1-3H3,(H,33,35)/t18-/m0/s1