(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-phenylazanyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-phenylazanyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,9S,10R,13S,14S,17S)-17-(2-anilinothiazol-4-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,9S,10R,13S,14S,17S)-17-(2-anilino-4-thiazolyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-(2-anilino-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,9S,10R,13S,14S,17S)-17-(2-anilinothiazol-4-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C28H34N2OS MolecularWeight: 446.64736

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C4=CSC(=N4)NC5=CC=CC=C5)CCC6=CC(=O)CCC36C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CSC(=N4)NC5=CC=CC=C5)CCC6=CC(=O)CC[C@]36C

InChI

InChI=1S/C28H34N2OS/c1-27-14-12-20(31)16-18(27)8-9-21-22-10-11-24(28(22,2)15-13-23(21)27)25-17-32-26(30-25)29-19-6-4-3-5-7-19/h3-7,16-17,21-24H,8-15H2,1-2H3,(H,29,30)/t21-,22-,23-,24+,27-,28-/m0/s1