[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C19H21NO3S/c1-14-8-9-17(10-15(14)2)24-13-19(22)23-12-18(21)20-11-16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,20,21)