[2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-4-(phenethylsulfanylmethyl)cyclohexyl] N-chloranyl-N-ethanoyl-carbamate

Systemtic Name: [2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-4-(phenethylsulfanylmethyl)cyclohexyl] N-chloranyl-N-ethanoyl-carbamate Openeye Name: [4-hydroxy-2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(phenethylsulfanylmethyl)cyclohexyl] N-acetyl-N-chloro-carbamate CAS Name: N-acetyl-N-chlorocarbamic acid [4-hydroxy-2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-4-[(phenethylthio)methyl]cyclohexyl] ester IUPAC Name: [4-hydroxy-2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(phenethylsulfanylmethyl)cyclohexyl] N-acetyl-N-chlorocarbamate Traditional Name: N-acetyl-N-chloro-carbamic acid [4-hydroxy-2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-[(phenethylthio)methyl]cyclohexyl] ester Formula: C27H38ClNO6S MolecularWeight: 540.11172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(CSCCC3=CC=CC=C3)O)OC(=O)N(C(=O)C)Cl)OC)C

Isomeric SMILES

CC(=CCC1C(O1)(C)C2C(C(CCC2(CSCCC3=CC=CC=C3)O)OC(=O)N(C(=O)C)Cl)OC)C

InChI

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