ethyl 2-methylsulfanyl-4-[(4-thiophen-2-ylcarbonyloxyphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[(4-thiophen-2-ylcarbonyloxyphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(thiophene-2-carbonyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-[oxo(thiophen-2-yl)methoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(thiophene-2-carbonyloxy)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(2-thenoyloxy)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=CC=CS3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=CC=CS3)SC

InChI

InChI=1S/C19H17N3O4S2/c1-3-25-17(23)14-11-20-19(27-2)22-16(14)21-12-6-8-13(9-7-12)26-18(24)15-5-4-10-28-15/h4-11H,3H2,1-2H3,(H,20,21,22)