dimethyl 5-[(1R)-1-[(1aR,4S,4aR,6S,7S,7aR,7bR)-4-(acetyloxymethyl)-6-imidazol-1-ylcarbothioyloxy-1,1,7-trimethyl-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[h]azulen-7-yl]-3-methyl-butyl]-2,4,6-trimethoxy-benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(1R)-1-[(1aR,4S,4aR,6S,7S,7aR,7bR)-4-(acetyloxymethyl)-6-imidazol-1-ylcarbothioyloxy-1,1,7-trimethyl-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[h]azulen-7-yl]-3-methyl-butyl]-2,4,6-trimethoxy-benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1R)-1-[(1aR,4S,4aR,6S,7S,7aR,7bR)-4-(acetoxymethyl)-6-(imidazole-1-carbothioyloxy)-1,1,7-trimethyl-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[h]azulen-7-yl]-3-methyl-butyl]-2,4,6-trimethoxy-benzene-1,3-dicarboxylate CAS Name: 5-[(1R)-1-[(1aR,4S,4aR,6S,7S,7aR,7bR)-4-(acetyloxymethyl)-6-[1-imidazolyl(sulfanylidene)methoxy]-1,1,7-trimethyl-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trimethoxybenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1R)-1-[(1aR,4S,4aR,6S,7S,7aR,7bR)-4-(acetyloxymethyl)-6-(imidazole-1-carbothioyloxy)-1,1,7-trimethyl-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trimethoxybenzene-1,3-dicarboxylate Traditional Name: 5-[(1R)-1-[(1aR,4S,4aR,6S,7S,7aR,7bR)-4-(acetoxymethyl)-6-(imidazole-1-carbothioyloxy)-1,1,7-trimethyl-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cycloprop[h]azulen-7-yl]-3-methyl-butyl]-2,4,6-trimethoxy-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C39H54N2O10S MolecularWeight: 742.91846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(C(=C(C(=C1OC)C(=O)OC)OC)C(=O)OC)OC)C2(C(CC3C2C4C(C4(C)C)CCC3COC(=O)C)OC(=S)N5C=CN=C5)C

Isomeric SMILES

CC(C)C[C@@H](C1=C(C(=C(C(=C1OC)C(=O)OC)OC)C(=O)OC)OC)[C@]2([C@H](C[C@@H]3[C@@H]2[C@H]4[C@H](C4(C)C)CC[C@@H]3COC(=O)C)OC(=S)N5C=CN=C5)C

InChI

InChI=1S/C39H54N2O10S/c1-20(2)16-25(27-32(45-7)28(35(43)48-10)34(47-9)29(33(27)46-8)36(44)49-11)39(6)26(51-37(52)41-15-14-40-19-41)17-23-22(18-50-21(3)42)12-13-24-31(30(23)39)38(24,4)5/h14-15,19-20,22-26,30-31H,12-13,16-18H2,1-11H3/t22-,23+,24-,25+,26+,30-,31-,39+/m1/s1