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

Systemtic Name: methyl 2-[(5-chloranyl-2-propylsulfonyl-pyrimidin-4-yl)carbonylamino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2-propylsulfonyl-pyrimidine-4-carbonyl)amino]-5-[(E)-2-cyano-1-methyl-vinyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-propylsulfonyl-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-propylsulfonylpyrimidine-4-carbonyl)amino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-propylsulfonyl-pyrimidine-4-carbonyl)amino]-5-[(E)-2-cyano-1-methyl-vinyl]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19ClN4O5S2 MolecularWeight: 482.96096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=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

CCCS(=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/C19H19ClN4O5S2/c1-5-8-31(27,28)19-22-9-12(20)14(23-19)16(25)24-17-13(18(26)29-4)11(3)15(30-17)10(2)6-7-21/h6,9H,5,8H2,1-4H3,(H,24,25)/b10-6+