methyl 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=NC(=NC=C2Cl)SC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=NC(=NC=C2Cl)SC)OC

InChI

InChI=1S/C16H16ClN3O5S/c1-23-11-5-8(15(22)25-3)10(6-12(11)24-2)19-14(21)13-9(17)7-18-16(20-13)26-4/h5-7H,1-4H3,(H,19,21)