[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-bis(fluoranyl)-17-(fluoranylmethylsulfanylcarbonyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 5-chloranyl-4-methoxy-thiophene-3-carboxylate

Systemtic Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-bis(fluoranyl)-17-(fluoranylmethylsulfanylcarbonyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 5-chloranyl-4-methoxy-thiophene-3-carboxylate Openeye Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 5-chloro-4-methoxy-thiophene-3-carboxylate CAS Name: 5-chloro-4-methoxy-3-thiophenecarboxylic acid [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-[(fluoromethylthio)-oxomethyl]-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 5-chloro-4-methoxythiophene-3-carboxylate Traditional Name: 5-chloro-4-methoxy-thiophene-3-carboxylic acid [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylthio)carbonyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C28H30ClF3O6S2 MolecularWeight: 619.11241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)C5=CSC(=C5OC)Cl)C)O)F)C)F

Isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5=CSC(=C5OC)Cl)C)O)F)C)F

InChI

InChI=1S/C28H30ClF3O6S2/c1-13-7-16-17-9-19(31)18-8-14(33)5-6-25(18,2)27(17,32)20(34)10-26(16,3)28(13,24(36)40-12-30)38-23(35)15-11-39-22(29)21(15)37-4/h5-6,8,11,13,16-17,19-20,34H,7,9-10,12H2,1-4H3/t13-,16+,17+,19+,20+,25+,26+,27+,28+/m1/s1