ethyl 4-[[3-(4-butoxy-3-ethoxy-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(4-butoxy-3-ethoxy-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(4-butoxy-3-ethoxy-benzoyl)oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[(4-butoxy-3-ethoxyphenyl)-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-butoxy-3-ethoxybenzoyl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(4-butoxy-3-ethoxy-benzoyl)oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC=C3C(=O)OCC)SC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC=C3C(=O)OCC)SC)OCC

InChI

InChI=1S/C27H31N3O6S/c1-5-8-14-35-22-13-12-18(15-23(22)33-6-2)25(31)36-20-11-9-10-19(16-20)29-24-21(26(32)34-7-3)17-28-27(30-24)37-4/h9-13,15-17H,5-8,14H2,1-4H3,(H,28,29,30)