methyl 2-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylamino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylamino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2-ethylsulfonyl-pyrimidine-4-carbonyl)amino]-5-[(E)-2-cyano-1-methyl-vinyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-ethylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-ethylsulfonylpyrimidine-4-carbonyl)amino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-esyl-pyrimidine-4-carbonyl)amino]-5-[(E)-2-cyano-1-methyl-vinyl]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H17ClN4O5S2 MolecularWeight: 468.93438

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C(=C(S2)C(=CC#N)C)C)C(=O)OC)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C(=C(S2)/C(=C/C#N)/C)C)C(=O)OC)Cl

InChI

InChI=1S/C18H17ClN4O5S2/c1-5-30(26,27)18-21-8-11(19)13(22-18)15(24)23-16-12(17(25)28-4)10(3)14(29-16)9(2)6-7-20/h6,8H,5H2,1-4H3,(H,23,24)/b9-6+