[(1R,2S,3S,4R)-4-(1,3-dihydro-2-benzothiophen-2-ium-2-ylmethyl)-2-methoxy-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] N-(2-chloranylethanoyl)carbamate chloride

Systemtic Name: [(1R,2S,3S,4R)-4-(1,3-dihydro-2-benzothiophen-2-ium-2-ylmethyl)-2-methoxy-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] N-(2-chloranylethanoyl)carbamate chloride Openeye Name: [(1R,2S,3S,4R)-4-(1,3-dihydro-2-benzothiophen-2-ium-2-ylmethyl)-4-hydroxy-2-methoxy-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl] N-(2-chloroacetyl)carbamate chloride CAS Name: N-(2-chloro-1-oxoethyl)carbamic acid [(1R,2S,3S,4R)-4-(1,3-dihydro-2-benzothiophen-2-ium-2-ylmethyl)-4-hydroxy-2-methoxy-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]cyclohexyl] ester chloride IUPAC Name: [(1R,2S,3S,4R)-4-(1,3-dihydro-2-benzothiophen-2-ium-2-ylmethyl)-4-hydroxy-2-methoxy-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl] N-(2-chloroacetyl)carbamate chloride Traditional Name: N-(2-chloroacetyl)carbamic acid [(1R,2S,3S,4R)-4-(1,3-dihydroisobenzothiophen-2-ium-2-ylmethyl)-4-hydroxy-2-methoxy-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl] ester chloride Formula: C27H37Cl2NO6S MolecularWeight: 574.55678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+]3CC4=CC=CC=C4C3)O)OC(=O)NC(=O)CCl)OC)C.[Cl-]

Isomeric SMILES

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C[S+]3CC4=CC=CC=C4C3)O)OC(=O)NC(=O)CCl)OC)C.[Cl-]

InChI

InChI=1S/C27H36ClNO6S.ClH/c1-17(2)9-10-21-26(3,35-21)24-23(33-4)20(34-25(31)29-22(30)13-28)11-12-27(24,32)16-36-14-18-7-5-6-8-19(18)15-36;/h5-9,20-21,23-24,32H,10-16H2,1-4H3;1H/t20-,21-,23-,24-,26+,27+;/m1./s1