(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-[methyl(phenyl)amino]-1,3-thiazol-4-yl]-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Systemtic Name: (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-[methyl(phenyl)amino]-1,3-thiazol-4-yl]-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(N-methylanilino)thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(N-methylanilino)-4-thiazolyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(N-methylanilino)-1,3-thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(N-methylanilino)thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C29H36N2O2S MolecularWeight: 476.67334

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)N(C)C6=CC=CC=C6)O)C

Isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C5=CSC(=N5)N(C)C6=CC=CC=C6)O)C

InChI

InChI=1S/C29H36N2O2S/c1-27-14-11-21(32)17-19(27)9-10-22-23(27)12-15-28(2)24(22)13-16-29(28,33)25-18-34-26(30-25)31(3)20-7-5-4-6-8-20/h4-8,17-18,22-24,33H,9-16H2,1-3H3/t22-,23+,24+,27+,28+,29+/m1/s1