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

Systemtic Name: ethyl 2-[[5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-[(3-methylbenzyl)thio]pyrimidine-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H22ClN3O3S2 MolecularWeight: 524.05418

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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)SCC4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C26H22ClN3O3S2/c1-3-33-25(32)21-19(18-10-5-4-6-11-18)15-34-24(21)30-23(31)22-20(27)13-28-26(29-22)35-14-17-9-7-8-16(2)12-17/h4-13,15H,3,14H2,1-2H3,(H,30,31)