methyl 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC(CC(=O)OC)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC(CC(=O)OC)C2=CC=CC=C2)C

InChI

InChI=1S/C18H21N3O3S/c1-12-9-13(2)20-18(19-12)25-11-16(22)21-15(10-17(23)24-3)14-7-5-4-6-8-14/h4-9,15H,10-11H2,1-3H3,(H,21,22)