S-dodecyl (2S,3R)-3-(4-dimethylaminophenyl)-3-methoxy-2-methyl-propanethioate

Systemtic Name: S-dodecyl (2S,3R)-3-(4-dimethylaminophenyl)-3-methoxy-2-methyl-propanethioate Openeye Name: S-dodecyl (2S,3R)-3-(4-dimethylaminophenyl)-3-methoxy-2-methyl-propanethioate CAS Name: (2S,3R)-3-(4-dimethylaminophenyl)-3-methoxy-2-methylpropanethioic acid S-dodecyl ester IUPAC Name: S-dodecyl (2S,3R)-3-(4-dimethylaminophenyl)-3-methoxy-2-methylpropanethioate Traditional Name: (2S,3R)-3-(4-dimethylaminophenyl)-3-methoxy-2-methyl-propanethioic acid S-lauryl ester Formula: C25H43NO2S MolecularWeight: 421.67942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=O)C(C)C(C1=CC=C(C=C1)N(C)C)OC

Isomeric SMILES

CCCCCCCCCCCCSC(=O)[C@@H](C)[C@H](C1=CC=C(C=C1)N(C)C)OC

InChI

InChI=1S/C25H43NO2S/c1-6-7-8-9-10-11-12-13-14-15-20-29-25(27)21(2)24(28-5)22-16-18-23(19-17-22)26(3)4/h16-19,21,24H,6-15,20H2,1-5H3/t21-,24+/m0/s1