ethyl 4-(4-chlorophenyl)-2-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(4-methyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-[4-methyl-6-oxo-2-(phenethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(4-methyl-6-oxo-2-phenethylsulfanylpyrimidin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-[6-keto-4-methyl-2-(phenethylthio)pyrimidin-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H26ClN3O4S2 MolecularWeight: 568.10674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CN3C(=O)C=C(N=C3SCCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CN3C(=O)C=C(N=C3SCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H26ClN3O4S2/c1-3-36-27(35)25-22(20-9-11-21(29)12-10-20)17-38-26(25)31-23(33)16-32-24(34)15-18(2)30-28(32)37-14-13-19-7-5-4-6-8-19/h4-12,15,17H,3,13-14,16H2,1-2H3,(H,31,33)