2,2,2-tris(fluoranyl)-N-[(1S)-2-oxidanylidene-1-phenyl-2-[[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]ethyl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[(1S)-2-oxidanylidene-1-phenyl-2-[[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]ethyl]ethanamide Openeye Name: 2,2,2-trifluoro-N-[(1S)-2-oxo-1-phenyl-2-[[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]ethyl]acetamide CAS Name: 2,2,2-trifluoro-N-[(1S)-2-oxo-1-phenyl-2-[[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]ethyl]acetamide IUPAC Name: 2,2,2-trifluoro-N-[(1S)-2-oxo-1-phenyl-2-[[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]ethyl]acetamide Traditional Name: 2,2,2-trifluoro-N-[(1S)-2-keto-2-[[(7S)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]-1-phenyl-ethyl]acetamide Formula: C30H29F3N2O6S MolecularWeight: 602.62127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C(C4=CC=CC=C4)NC(=O)C(F)(F)F)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)[C@H](C4=CC=CC=C4)NC(=O)C(F)(F)F)OC)OC

InChI

InChI=1S/C30H29F3N2O6S/c1-39-22-14-17-10-12-20(34-28(37)25(16-8-6-5-7-9-16)35-29(38)30(31,32)33)19-15-21(36)23(42-4)13-11-18(19)24(17)27(41-3)26(22)40-2/h5-9,11,13-15,20,25H,10,12H2,1-4H3,(H,34,37)(H,35,38)/t20-,25-/m0/s1