[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC(C)C)C

InChI

InChI=1S/C16H23NO3S/c1-11(2)17-15(18)10-20-16(19)7-8-21-14-6-5-12(3)13(4)9-14/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18)