(phenylmethyl) 2-(2-dimethylaminoethylsulfanylmethyl)-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-(2-dimethylaminoethylsulfanylmethyl)-3-phenyl-propanoate Openeye Name: benzyl 2-benzyl-3-(2-dimethylaminoethylsulfanyl)propanoate CAS Name: 2-[(2-dimethylaminoethylthio)methyl]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-3-(2-dimethylaminoethylsulfanyl)propanoate Traditional Name: 2-benzyl-3-(2-dimethylaminoethylthio)propionic acid benzyl ester Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(C)CCSCC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO2S/c1-22(2)13-14-25-17-20(15-18-9-5-3-6-10-18)21(23)24-16-19-11-7-4-8-12-19/h3-12,20H,13-17H2,1-2H3