S-[2-[9-fluoranyl-2-formamido-10,13,16-trimethyl-4-methylsulfanyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] butanethioate

Systemtic Name: S-[2-[9-fluoranyl-2-formamido-10,13,16-trimethyl-4-methylsulfanyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] butanethioate Openeye Name: S-[2-(9-fluoro-2-formamido-11,17-dihydroxy-10,13,16-trimethyl-4-methylsulfanyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] butanethioate CAS Name: butanethioic acid S-[2-[9-fluoro-2-formamido-11,17-dihydroxy-10,13,16-trimethyl-4-(methylthio)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: S-[2-(9-fluoro-2-formamido-11,17-dihydroxy-10,13,16-trimethyl-4-methylsulfanyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] butanethioate Traditional Name: butanethioic acid S-[2-[9-fluoro-2-formamido-11,17-dihydroxy-3-keto-10,13,16-trimethyl-4-(methylthio)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C28H38FNO6S2 MolecularWeight: 567.732823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=C(C(=O)C(=CC43C)NC=O)SC)F)O)C)C)O

Isomeric SMILES

CCCC(=O)SCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=C(C(=O)C(=CC43C)NC=O)SC)F)O)C)C)O

InChI

InChI=1S/C28H38FNO6S2/c1-6-7-22(34)38-13-21(33)28(36)15(2)10-18-16-8-9-17-24(37-5)23(35)19(30-14-31)11-25(17,3)27(16,29)20(32)12-26(18,28)4/h11,14-16,18,20,32,36H,6-10,12-13H2,1-5H3,(H,30,31)