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

Systemtic Name: ethyl 2-[(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-methylsulfonyl-pyrimidine-4-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-methylsulfonylpyrimidine-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-mesyl-pyrimidine-4-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H16ClN3O5S2 MolecularWeight: 465.93044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O5S2/c1-3-28-18(25)14-12(11-7-5-4-6-8-11)10-29-17(14)23-16(24)15-13(20)9-21-19(22-15)30(2,26)27/h4-10H,3H2,1-2H3,(H,23,24)