ethyl 2-[[5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidin-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidin-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfonyl-5-chloro-pyrimidine-4-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfonyl-5-chloropyrimidine-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-benzylsulfonyl-5-chloro-pyrimidine-4-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20ClN3O5S2 MolecularWeight: 493.9836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

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