methyl 3-cyano-4-[6-(2,4-dimethylphenyl)hexylsulfanyl]-3-oxidanyl-butanoate

Systemtic Name: methyl 3-cyano-4-[6-(2,4-dimethylphenyl)hexylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[6-(2,4-dimethylphenyl)hexylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[6-(2,4-dimethylphenyl)hexylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[6-(2,4-dimethylphenyl)hexylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[6-(2,4-dimethylphenyl)hexylthio]-3-hydroxy-butyric acid methyl ester Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCCCCSCC(CC(=O)OC)(C#N)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCCCCSCC(CC(=O)OC)(C#N)O)C

InChI

InChI=1S/C20H29NO3S/c1-16-9-10-18(17(2)12-16)8-6-4-5-7-11-25-15-20(23,14-21)13-19(22)24-3/h9-10,12,23H,4-8,11,13,15H2,1-3H3