S-(2-dimethylaminoethyl) 2-(3-phenoxyphenyl)propanethioate; ethanoic acid

Systemtic Name: S-(2-dimethylaminoethyl) 2-(3-phenoxyphenyl)propanethioate; ethanoic acid Openeye Name: acetic acid; S-(2-dimethylaminoethyl) 2-(3-phenoxyphenyl)propanethioate CAS Name: acetic acid; 2-(3-phenoxyphenyl)propanethioic acid S-(2-dimethylaminoethyl) ester IUPAC Name: acetic acid; S-(2-dimethylaminoethyl) 2-(3-phenoxyphenyl)propanethioate Traditional Name: acetic acid; 2-(3-phenoxyphenyl)propanethioic acid S-(2-dimethylaminoethyl) ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)SCCN(C)C.CC(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)SCCN(C)C.CC(=O)O

InChI

InChI=1S/C19H23NO2S.C2H4O2/c1-15(19(21)23-13-12-20(2)3)16-8-7-11-18(14-16)22-17-9-5-4-6-10-17;1-2(3)4/h4-11,14-15H,12-13H2,1-3H3;1H3,(H,3,4)