methyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 2-[[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C17H19N3O3S/c1-11-10-12(2)19-17(18-11)24-9-8-15(21)20-14-7-5-4-6-13(14)16(22)23-3/h4-7,10H,8-9H2,1-3H3,(H,20,21)