S-(diethylaminomethyl) 2-phenylethanethioate

Systemtic Name: S-(diethylaminomethyl) 2-phenylethanethioate Openeye Name: S-(diethylaminomethyl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(diethylaminomethyl) ester IUPAC Name: S-(diethylaminomethyl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(diethylaminomethyl) ester Formula: C13H19NOS MolecularWeight: 237.36106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CSC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCN(CC)CSC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C13H19NOS/c1-3-14(4-2)11-16-13(15)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3