diethyl 5-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H18ClN3O5S2 MolecularWeight: 443.92492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C17H18ClN3O5S2/c1-5-25-15(23)10-8(3)12(16(24)26-6-2)28-14(10)21-13(22)11-9(18)7-19-17(20-11)27-4/h7H,5-6H2,1-4H3,(H,21,22)