S-(2-dimethylaminoethyl) 2-[4-(2-methylpropyl)phenyl]propanethioate

Systemtic Name: S-(2-dimethylaminoethyl) 2-[4-(2-methylpropyl)phenyl]propanethioate Openeye Name: S-(2-dimethylaminoethyl) 2-(4-isobutylphenyl)propanethioate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanethioic acid S-(2-dimethylaminoethyl) ester IUPAC Name: S-(2-dimethylaminoethyl) 2-[4-(2-methylpropyl)phenyl]propanethioate Traditional Name: 2-(4-isobutylphenyl)propanethioic acid S-(2-dimethylaminoethyl) ester Formula: C17H27NOS MolecularWeight: 293.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SCCN(C)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SCCN(C)C

InChI

InChI=1S/C17H27NOS/c1-13(2)12-15-6-8-16(9-7-15)14(3)17(19)20-11-10-18(4)5/h6-9,13-14H,10-12H2,1-5H3