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

Systemtic Name: ethyl 2-[(5-chloranyl-2-propylsulfonyl-pyrimidin-4-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-propylsulfonyl-pyrimidine-4-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-propylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-propylsulfonylpyrimidine-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-propylsulfonyl-pyrimidine-4-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20ClN3O5S2 MolecularWeight: 493.9836

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)Cl

InChI

InChI=1S/C21H20ClN3O5S2/c1-3-10-32(28,29)21-23-11-15(22)17(24-21)18(26)25-19-16(20(27)30-4-2)14(12-31-19)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,25,26)