butyl 4-[2-(6-methylpyrimidin-4-yl)sulfanylethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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