[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C20H25N3O3S/c1-5-15-8-7-9-16(6-2)19(15)23-17(24)11-26-18(25)12-27-20-21-13(3)10-14(4)22-20/h7-10H,5-6,11-12H2,1-4H3,(H,23,24)