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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H22ClN3O4S2 MolecularWeight: 540.05358

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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=C3SC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CN3C(=O)C=C(N=C3SC)C4=CC=CC=C4

InChI

InChI=1S/C26H22ClN3O4S2/c1-3-34-25(33)23-19(16-9-11-18(27)12-10-16)15-36-24(23)29-21(31)14-30-22(32)13-20(28-26(30)35-2)17-7-5-4-6-8-17/h4-13,15H,3,14H2,1-2H3,(H,29,31)