methyl 4-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]ethyl]benzoic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)C

InChI

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