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

Systemtic Name: ethyl 2-[[5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H22ClN3O5S2 MolecularWeight: 556.05298

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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)CC4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC(=C4)C

InChI

InChI=1S/C26H22ClN3O5S2/c1-3-35-25(32)21-19(18-10-5-4-6-11-18)14-36-24(21)30-23(31)22-20(27)13-28-26(29-22)37(33,34)15-17-9-7-8-16(2)12-17/h4-14H,3,15H2,1-2H3,(H,30,31)