ethyl 2-[2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[6-(2,6-dimethylmorpholino)pyrimidin-4-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC(=C2)N3CC(OC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC(=C2)N3CC(OC(C3)C)C

InChI

InChI=1S/C21H26N4O4S/c1-4-28-21(27)16-7-5-6-8-17(16)24-19(26)12-30-20-9-18(22-13-23-20)25-10-14(2)29-15(3)11-25/h5-9,13-15H,4,10-12H2,1-3H3,(H,24,26)