N,N'-bis[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]decanediamide

Systemtic Name: N,N'-bis[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]decanediamide Openeye Name: N,N'-bis[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]decanediamide CAS Name: N,N'-bis[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]decanediamide IUPAC Name: N,N'-bis[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]decanediamide Traditional Name: N,N'-bis[(7S)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]sebacamide Formula: C50H60N2O10S2 MolecularWeight: 913.1488

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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)CCCCCCCCC(=O)NC4CCC5=CC(=C(C(=C5C6=CC=C(C(=O)C=C46)SC)OC)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)CCCCCCCCC(=O)N[C@H]4CCC5=CC(=C(C(=C5C6=CC=C(C(=O)C=C46)SC)OC)OC)OC)OC)OC

InChI

InChI=1S/C50H60N2O10S2/c1-57-39-25-29-17-21-35(33-27-37(53)41(63-7)23-19-31(33)45(29)49(61-5)47(39)59-3)51-43(55)15-13-11-9-10-12-14-16-44(56)52-36-22-18-30-26-40(58-2)48(60-4)50(62-6)46(30)32-20-24-42(64-8)38(54)28-34(32)36/h19-20,23-28,35-36H,9-18,21-22H2,1-8H3,(H,51,55)(H,52,56)/t35-,36-/m0/s1