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

Systemtic Name: ethyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-2-27-21(26)16-8-10-17(11-9-16)24-19(25)13-28-20-12-18(22-14-23-20)15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,24,25)