(8R,9S,10R,13S,14S,17R)-17-[2-[(4-ethoxyphenyl)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-ethoxyphenyl)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-[2-(4-ethoxyanilino)thiazol-4-yl]-17-hydroxy-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-[2-(4-ethoxyanilino)-4-thiazolyl]-17-hydroxy-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-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-17-hydroxy-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-phenetidino)thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C30H38N2O3S MolecularWeight: 506.69932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3(CCC4C3(CCC5C4CCC6=CC(=O)CCC56C)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=CS2)[C@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6=CC(=O)CC[C@]56C)C)O

InChI

InChI=1S/C30H38N2O3S/c1-4-35-22-8-6-20(7-9-22)31-27-32-26(18-36-27)30(34)16-13-25-23-10-5-19-17-21(33)11-14-28(19,2)24(23)12-15-29(25,30)3/h6-9,17-18,23-25,34H,4-5,10-16H2,1-3H3,(H,31,32)/t23-,24+,25+,28+,29+,30+/m1/s1