[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NCCC2=CC=CS2)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NCCC2=CC=CS2)C

InChI

InChI=1S/C18H21NO3S2/c1-13-5-6-16(14(2)10-13)24-12-18(21)22-11-17(20)19-8-7-15-4-3-9-23-15/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,19,20)