[(1R,3S,4R)-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(methylsulfanylmethyl)-4-oxidanyl-cyclohexyl] 3-chloranyl-3-oxidanylidene-propanoate

Systemtic Name: [(1R,3S,4R)-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(methylsulfanylmethyl)-4-oxidanyl-cyclohexyl] 3-chloranyl-3-oxidanylidene-propanoate Openeye Name: [(1R,3S,4R)-4-hydroxy-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(methylsulfanylmethyl)cyclohexyl] 3-chloro-3-oxo-propanoate CAS Name: 3-chloro-3-oxopropanoic acid [(1R,3S,4R)-4-hydroxy-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-4-[(methylthio)methyl]cyclohexyl] ester IUPAC Name: [(1R,3S,4R)-4-hydroxy-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(methylsulfanylmethyl)cyclohexyl] 3-chloro-3-oxopropanoate Traditional Name: 3-chloro-3-keto-propionic acid [(1R,3S,4R)-4-hydroxy-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-[(methylthio)methyl]cyclohexyl] ester Formula: C19H29ClO5S MolecularWeight: 404.94856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2CC(CCC2(CSC)O)OC(=O)CC(=O)Cl)C

Isomeric SMILES

CC(=CC[C@@H]1[C@](O1)(C)[C@H]2C[C@@H](CC[C@@]2(CSC)O)OC(=O)CC(=O)Cl)C

InChI

InChI=1S/C19H29ClO5S/c1-12(2)5-6-15-18(3,25-15)14-9-13(24-17(22)10-16(20)21)7-8-19(14,23)11-26-4/h5,13-15,23H,6-11H2,1-4H3/t13-,14-,15-,18+,19+/m1/s1