dimethyl 5-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-chloro-2-ethylsulfanyl-pyrimidine-4-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-chloro-2-(ethylthio)pyrimidine-4-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C17H16ClN3O5S/c1-4-27-17-19-8-12(18)13(21-17)14(22)20-11-6-9(15(23)25-2)5-10(7-11)16(24)26-3/h5-8H,4H2,1-3H3,(H,20,22)