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

Systemtic Name: ethyl 2-[[5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-[(4-fluorophenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-[(4-fluorobenzyl)thio]pyrimidine-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H19ClFN3O3S2 MolecularWeight: 528.018063

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClFN3O3S2/c1-2-33-24(32)20-18(16-6-4-3-5-7-16)14-34-23(20)30-22(31)21-19(26)12-28-25(29-21)35-13-15-8-10-17(27)11-9-15/h3-12,14H,2,13H2,1H3,(H,30,31)