[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OC(C)C(=O)NC2=C(C=CS2)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)O[C@H](C)C(=O)NC2=C(C=CS2)C#N)C

InChI

InChI=1S/C18H18N2O3S2/c1-11-4-5-15(12(2)8-11)25-10-16(21)23-13(3)17(22)20-18-14(9-19)6-7-24-18/h4-8,13H,10H2,1-3H3,(H,20,22)/t13-/m1/s1