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

Systemtic Name: ethyl 4-[2-(6-methylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-methylpyrimidin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-3-22-16(21)12-4-6-13(7-5-12)19-14(20)9-23-15-8-11(2)17-10-18-15/h4-8,10H,3,9H2,1-2H3,(H,19,20)