(8R,9S,10R,13S,14S,17R)-17-[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]-10,13-dimethyl-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)-17-[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]-10,13-dimethyl-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-17-[2-(4-methoxyanilino)thiazol-4-yl]-10,13-dimethyl-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-17-[2-(4-methoxyanilino)-4-thiazolyl]-10,13-dimethyl-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-17-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-10,13-dimethyl-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-(p-anisidino)thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)NC6=CC=C(C=C6)OC)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)NC6=CC=C(C=C6)OC)O)C

InChI

InChI=1S/C29H36N2O3S/c1-27-13-10-20(32)16-18(27)4-9-22-23(27)11-14-28(2)24(22)12-15-29(28,33)25-17-35-26(31-25)30-19-5-7-21(34-3)8-6-19/h5-8,16-17,22-24,33H,4,9-15H2,1-3H3,(H,30,31)/t22-,23+,24+,27+,28+,29+/m1/s1