17-(2,5-dimethylpyrazol-3-yl)carbonyloxy-6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Systemtic Name: 17-(2,5-dimethylpyrazol-3-yl)carbonyloxy-6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Openeye Name: 17-(2,5-dimethylpyrazole-3-carbonyl)oxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid CAS Name: 17-[(2,5-dimethyl-3-pyrazolyl)-oxomethoxy]-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid IUPAC Name: 17-(2,5-dimethylpyrazole-3-carbonyl)oxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Traditional Name: 17-(2,5-dimethylpyrazole-3-carbonyl)oxy-6,9-difluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Formula: C27H32F2N2O5S MolecularWeight: 534.615186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C5=CC(=NN5C)C)C)O)F)C)F

Isomeric SMILES

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C5=CC(=NN5C)C)C)O)F)C)F

InChI

InChI=1S/C27H32F2N2O5S/c1-13-8-16-17-11-19(28)18-10-15(32)6-7-24(18,3)26(17,29)21(33)12-25(16,4)27(13,23(35)37)36-22(34)20-9-14(2)30-31(20)5/h6-7,9-10,13,16-17,19,21,33H,8,11-12H2,1-5H3,(H,35,37)