ethyl 4-[[(2S)-2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC=NC(=C2)C

InChI

InChI=1S/C17H19N3O3S/c1-4-23-17(22)13-5-7-14(8-6-13)20-16(21)12(3)24-15-9-11(2)18-10-19-15/h5-10,12H,4H2,1-3H3,(H,20,21)/t12-/m0/s1