ethyl 4-[[3-(3-ethoxyphenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(3-ethoxyphenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(3-ethoxybenzoyl)oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[(3-ethoxyphenyl)-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-ethoxybenzoyl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(3-ethoxybenzoyl)oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC=C3C(=O)OCC)SC

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC=C3C(=O)OCC)SC

InChI

InChI=1S/C23H23N3O5S/c1-4-29-17-10-6-8-15(12-17)21(27)31-18-11-7-9-16(13-18)25-20-19(22(28)30-5-2)14-24-23(26-20)32-3/h6-14H,4-5H2,1-3H3,(H,24,25,26)