ethyl 3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzoate

Systemtic Name: ethyl 3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: ethyl 3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 3-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 3-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]benzoic acid ethyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C19H23N3O3S/c1-5-25-18(24)14-7-6-8-15(11-14)22-17(23)10-9-16-12(2)20-19(26-4)21-13(16)3/h6-8,11H,5,9-10H2,1-4H3,(H,22,23)