ethyl 2-methylsulfanyl-4-[[3-(4-pyrrol-1-ylphenyl)carbonyloxyphenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-(4-pyrrol-1-ylphenyl)carbonyloxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-(4-pyrrol-1-ylbenzoyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[oxo-[4-(1-pyrrolyl)phenyl]methoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-(4-pyrrol-1-ylbenzoyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-(4-pyrrol-1-ylbenzoyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=C4)SC

InChI

InChI=1S/C25H22N4O4S/c1-3-32-24(31)21-16-26-25(34-2)28-22(21)27-18-7-6-8-20(15-18)33-23(30)17-9-11-19(12-10-17)29-13-4-5-14-29/h4-16H,3H2,1-2H3,(H,26,27,28)