methyl 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-methyl-amino]benzoate Openeye Name: methyl 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)-methyl-amino]benzoate CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-methylamino]benzoate Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]-methyl-amino]benzoic acid methyl ester Formula: C15H14ClN3O3S MolecularWeight: 351.80796

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C15H14ClN3O3S/c1-19(11-7-5-4-6-9(11)14(21)22-2)13(20)12-10(16)8-17-15(18-12)23-3/h4-8H,1-3H3