ethyl 2-[(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[(5-chloro-2-methylsulfonyl-pyrimidine-4-carbonyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[(5-chloro-2-methylsulfonylpyrimidine-4-carbonyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(5-chloro-2-mesyl-pyrimidine-4-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H16ClN3O6S2 MolecularWeight: 445.89774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O6S2/c1-5-26-15(23)10-7(2)12(8(3)21)27-14(10)20-13(22)11-9(17)6-18-16(19-11)28(4,24)25/h6H,5H2,1-4H3,(H,20,22)