propyl 4-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: propyl 4-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2,6-dimethylpyrimidin-4-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2)C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2)C)C

InChI

InChI=1S/C18H21N3O3S/c1-4-9-24-18(23)14-5-7-15(8-6-14)21-16(22)11-25-17-10-12(2)19-13(3)20-17/h5-8,10H,4,9,11H2,1-3H3,(H,21,22)