(1R,4S)-1,7,7-trimethyl-2-oxidanylidene-N-[4-[[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]phenyl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide

Systemtic Name: (1R,4S)-1,7,7-trimethyl-2-oxidanylidene-N-[4-[[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]phenyl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide Openeye Name: (1R,4S)-1,7,7-trimethyl-2-oxo-N-[4-[[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]phenyl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide CAS Name: (1R,4S)-1,7,7-trimethyl-2-oxo-N-[4-[oxo-[[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]methyl]phenyl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide IUPAC Name: (1R,4S)-1,7,7-trimethyl-2-oxo-N-[4-[[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]phenyl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide Traditional Name: (1R,4S)-2-keto-N-[4-[[(7S)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]phenyl]-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxamide Formula: C37H40N2O8S MolecularWeight: 672.7871

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)NC3=CC=C(C=C3)C(=O)NC4CCC5=CC(=C(C(=C5C6=CC=C(C(=O)C=C46)SC)OC)OC)OC)C)C

Isomeric SMILES

C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)NC3=CC=C(C=C3)C(=O)N[C@H]4CCC5=CC(=C(C(=C5C6=CC=C(C(=O)C=C46)SC)OC)OC)OC

InChI

InChI=1S/C37H40N2O8S/c1-35(2)36(3)16-17-37(35,47-34(36)43)33(42)38-22-11-8-20(9-12-22)32(41)39-25-14-10-21-18-27(44-4)30(45-5)31(46-6)29(21)23-13-15-28(48-7)26(40)19-24(23)25/h8-9,11-13,15,18-19,25H,10,14,16-17H2,1-7H3,(H,38,42)(H,39,41)/t25-,36-,37+/m0/s1