methyl 4-[[(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoyl]amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@H](C)C(=O)NC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C17H19N3O3S/c1-10-9-11(2)19-17(18-10)24-12(3)15(21)20-14-7-5-13(6-8-14)16(22)23-4/h5-9,12H,1-4H3,(H,20,21)/t12-/m1/s1