ethyl 2-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-ethylsulfonyl-pyrimidine-4-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-ethylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-ethylsulfonylpyrimidine-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-esyl-pyrimidine-4-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H18ClN3O5S2 MolecularWeight: 479.95702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC

InChI

InChI=1S/C20H18ClN3O5S2/c1-3-29-19(26)15-13(12-8-6-5-7-9-12)11-30-18(15)24-17(25)16-14(21)10-22-20(23-16)31(27,28)4-2/h5-11H,3-4H2,1-2H3,(H,24,25)