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

Systemtic Name: ethyl 2-[[5-chloranyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfanyl-5-chloro-pyrimidine-4-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(phenylmethylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfanyl-5-chloropyrimidine-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)-5-chloro-pyrimidine-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H20ClN3O3S2 MolecularWeight: 510.0276

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN3O3S2/c1-2-32-24(31)20-18(17-11-7-4-8-12-17)15-33-23(20)29-22(30)21-19(26)13-27-25(28-21)34-14-16-9-5-3-6-10-16/h3-13,15H,2,14H2,1H3,(H,29,30)