17-(3-bromanylthiophen-2-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-(3-bromanylthiophen-2-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-(3-bromothiophene-2-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-[(3-bromo-2-thiophenyl)-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-(3-bromothiophene-2-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-(3-bromothiophene-2-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: C26H27BrF2O5S2 MolecularWeight: 601.520386

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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=C(C=CS5)Br)C)O)F)C)F

Isomeric SMILES

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C5=C(C=CS5)Br)C)O)F)C)F

InChI

InChI=1S/C26H27BrF2O5S2/c1-12-8-14-15-10-18(28)16-9-13(30)4-6-23(16,2)25(15,29)19(31)11-24(14,3)26(12,22(33)35)34-21(32)20-17(27)5-7-36-20/h4-7,9,12,14-15,18-19,31H,8,10-11H2,1-3H3,(H,33,35)