[(8S,9R,10S,11S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 5-methyl-1,3-thiazole-2-carboxylate

Systemtic Name: [(8S,9R,10S,11S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 5-methyl-1,3-thiazole-2-carboxylate Openeye Name: [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 5-methylthiazole-2-carboxylate CAS Name: 5-methyl-2-thiazolecarboxylic acid [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester IUPAC Name: [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 5-methyl-1,3-thiazole-2-carboxylate Traditional Name: 5-methylthiazole-2-carboxylic acid [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-3-keto-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)C(=O)OC2CC3(C(CCC3C(=O)C)C4C2C5(CCC(=O)C=C5C=C4)C)C

Isomeric SMILES

CC1=CN=C(S1)C(=O)O[C@H]2C[C@]3([C@@H](CC[C@@H]3C(=O)C)[C@H]4[C@@H]2[C@@]5(CCC(=O)C=C5C=C4)C)C

InChI

InChI=1S/C26H31NO4S/c1-14-13-27-23(32-14)24(30)31-21-12-26(4)19(15(2)28)7-8-20(26)18-6-5-16-11-17(29)9-10-25(16,3)22(18)21/h5-6,11,13,18-22H,7-10,12H2,1-4H3/t18-,19+,20-,21-,22-,25+,26+/m0/s1