methyl (2S,3R,4S,5R,7S)-3-imidazol-1-ylcarbothioyloxy-5-(methoxymethoxy)-2,4,8-trimethyl-7-phenylmethoxy-nonanoate

Systemtic Name: methyl (2S,3R,4S,5R,7S)-3-imidazol-1-ylcarbothioyloxy-5-(methoxymethoxy)-2,4,8-trimethyl-7-phenylmethoxy-nonanoate Openeye Name: methyl (2S,3R,4S,5R,7S)-7-benzyloxy-3-(imidazole-1-carbothioyloxy)-5-(methoxymethoxy)-2,4,8-trimethyl-nonanoate CAS Name: (2S,3R,4S,5R,7S)-3-[1-imidazolyl(sulfanylidene)methoxy]-5-(methoxymethoxy)-2,4,8-trimethyl-7-phenylmethoxynonanoic acid methyl ester IUPAC Name: methyl (2S,3R,4S,5R,7S)-3-(imidazole-1-carbothioyloxy)-5-(methoxymethoxy)-2,4,8-trimethyl-7-phenylmethoxynonanoate Traditional Name: (2S,3R,4S,5R,7S)-7-benzoxy-3-(imidazole-1-carbothioyloxy)-5-(methoxymethoxy)-2,4,8-trimethyl-pelargonic acid methyl ester Formula: C26H38N2O6S MolecularWeight: 506.65472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(C)C(C(C)C(=O)OC)OC(=S)N1C=CN=C1)OCOC)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@@H](C[C@@H](C(C)C)OCC1=CC=CC=C1)OCOC)[C@H]([C@H](C)C(=O)OC)OC(=S)N2C=CN=C2

InChI

InChI=1S/C26H38N2O6S/c1-18(2)22(32-15-21-10-8-7-9-11-21)14-23(33-17-30-5)19(3)24(20(4)25(29)31-6)34-26(35)28-13-12-27-16-28/h7-13,16,18-20,22-24H,14-15,17H2,1-6H3/t19-,20-,22-,23+,24+/m0/s1