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

Systemtic Name: methyl 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-2,6-dimethoxy-benzoate Openeye Name: methyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2,6-dimethoxy-benzoate CAS Name: 3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2,6-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2,6-dimethoxybenzoate Traditional Name: 3-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-2,6-dimethoxy-benzoic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-10-8-11(2)20-18(19-10)27-9-14(22)21-12-6-7-13(24-3)15(16(12)25-4)17(23)26-5/h6-8H,9H2,1-5H3,(H,21,22)