methyl 2-[2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[4-(4-chlorophenyl)-6-methyl-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H18ClN3O3S/c1-13-11-18(14-7-9-15(22)10-8-14)25-21(23-13)29-12-19(26)24-17-6-4-3-5-16(17)20(27)28-2/h3-11H,12H2,1-2H3,(H,24,26)