[(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] (3S,5R,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-3-oxidanyl-5-triphenylsilyloxy-tridec-12-enoate

Systemtic Name: [(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] (3S,5R,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-3-oxidanyl-5-triphenylsilyloxy-tridec-12-enoate Openeye Name: [(1S)-1-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]but-3-enyl] (3S,5R,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4,6,8-tetramethyl-5-triphenylsilyloxy-tridec-12-enoate CAS Name: (3S,5R,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4,6,8-tetramethyl-5-triphenylsilyloxy-12-tridecenoic acid [(1E,3S)-2-methyl-1-(2-methyl-4-thiazolyl)hexa-1,5-dien-3-yl] ester IUPAC Name: [(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] (3S,5R,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4,6,8-tetramethyl-5-triphenylsilyloxytridec-12-enoate Traditional Name: (3S,5R,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4,6,8-tetramethyl-5-triphenylsilyloxy-tridec-12-enoic acid [(1S)-1-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]but-3-enyl] ester Formula: C52H73NO5SSi2 MolecularWeight: 880.37572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=C(C)C(CC=C)OC(=O)CC(C(C)(C)C(C(C)C(C(C)CCCC=C)O[Si](C)(C)C(C)(C)C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=NC(=CS1)/C=C(\C)/[C@H](CC=C)OC(=O)C[C@@H](C(C)(C)[C@@H]([C@H](C)[C@H]([C@@H](C)CCCC=C)O[Si](C)(C)C(C)(C)C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C52H73NO5SSi2/c1-14-16-20-28-38(3)49(57-60(12,13)51(7,8)9)40(5)50(52(10,11)47(54)36-48(55)56-46(27-15-2)39(4)35-42-37-59-41(6)53-42)58-61(43-29-21-17-22-30-43,44-31-23-18-24-32-44)45-33-25-19-26-34-45/h14-15,17-19,21-26,29-35,37-38,40,46-47,49-50,54H,1-2,16,20,27-28,36H2,3-13H3/b39-35+/t38-,40+,46-,47-,49-,50+/m0/s1