methyl 3-cyano-4-[6-(4-methoxyphenyl)hexylsulfanyl]-3-oxidanyl-butanoate

Systemtic Name: methyl 3-cyano-4-[6-(4-methoxyphenyl)hexylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[6-(4-methoxyphenyl)hexylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[6-(4-methoxyphenyl)hexylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-[6-(4-methoxyphenyl)hexylsulfanyl]butanoate Traditional Name: 3-cyano-3-hydroxy-4-[6-(4-methoxyphenyl)hexylthio]butyric acid methyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCCCSCC(CC(=O)OC)(C#N)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCCCCSCC(CC(=O)OC)(C#N)O

InChI

InChI=1S/C19H27NO4S/c1-23-17-10-8-16(9-11-17)7-5-3-4-6-12-25-15-19(22,14-20)13-18(21)24-2/h8-11,22H,3-7,12-13,15H2,1-2H3