ethyl 2-chloranyl-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H18ClN3O3S MolecularWeight: 379.86112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)C)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)C)C)Cl

InChI

InChI=1S/C17H18ClN3O3S/c1-4-24-16(23)13-8-12(5-6-14(13)18)21-15(22)9-25-17-19-10(2)7-11(3)20-17/h5-8H,4,9H2,1-3H3,(H,21,22)