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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-(3-phenoxyphenyl)carbonyloxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-(3-phenoxybenzoyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[oxo-(3-phenoxyphenyl)methoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-(3-phenoxybenzoyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-(3-phenoxybenzoyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C27H23N3O5S MolecularWeight: 501.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)SC

InChI

InChI=1S/C27H23N3O5S/c1-3-33-26(32)23-17-28-27(36-2)30-24(23)29-19-10-8-14-22(16-19)35-25(31)18-9-7-13-21(15-18)34-20-11-5-4-6-12-20/h4-17H,3H2,1-2H3,(H,28,29,30)