[(1R,2S,3S,4R)-4-(2-chloranylethanoylcarbamoyloxy)-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl-methyl-(phenylmethyl)sulfanium

Systemtic Name: [(1R,2S,3S,4R)-4-(2-chloranylethanoylcarbamoyloxy)-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl-methyl-(phenylmethyl)sulfanium Openeye Name: benzyl-[[(1R,2S,3S,4R)-4-[(2-chloroacetyl)carbamoyloxy]-1-hydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl]-methyl-sulfonium CAS Name: [(1R,2S,3S,4R)-4-[[(2-chloro-1-oxoethyl)amino]-oxomethoxy]-1-hydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]cyclohexyl]methyl-methyl-(phenylmethyl)sulfonium IUPAC Name: benzyl-[[(1R,2S,3S,4R)-4-[(2-chloroacetyl)carbamoyloxy]-1-hydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl]-methylsulfanium Traditional Name: benzyl-[[(1R,2S,3S,4R)-4-[(2-chloroacetyl)carbamoyloxy]-1-hydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl]-methyl-sulfonium Formula: C27H39ClNO6S+ MolecularWeight: 541.11966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)CC3=CC=CC=C3)O)OC(=O)NC(=O)CCl)OC)C

Isomeric SMILES

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C[S+](C)CC3=CC=CC=C3)O)OC(=O)NC(=O)CCl)OC)C

InChI

InChI=1S/C27H38ClNO6S/c1-18(2)11-12-21-26(3,35-21)24-23(33-4)20(34-25(31)29-22(30)15-28)13-14-27(24,32)17-36(5)16-19-9-7-6-8-10-19/h6-11,20-21,23-24,32H,12-17H2,1-5H3/p+1/t20-,21-,23-,24-,26+,27+,36?/m1/s1