ethyl 2-methylsulfanyl-4-[(4-naphthalen-1-ylcarbonyloxyphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[(4-naphthalen-1-ylcarbonyloxyphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(naphthalene-1-carbonyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-[1-naphthalenyl(oxo)methoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(naphthalene-1-carbonyloxy)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(1-naphthoyloxy)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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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=CC4=CC=CC=C43)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)SC

InChI

InChI=1S/C25H21N3O4S/c1-3-31-23(29)21-15-26-25(33-2)28-22(21)27-17-11-13-18(14-12-17)32-24(30)20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,3H2,1-2H3,(H,26,27,28)