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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-(3-phenoxyphenyl)carbonyloxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(3-phenoxybenzoyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-[oxo-(3-phenoxyphenyl)methoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(3-phenoxybenzoyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(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=C(C=C2)OC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=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)29-19-12-14-21(15-13-19)35-25(31)18-8-7-11-22(16-18)34-20-9-5-4-6-10-20/h4-17H,3H2,1-2H3,(H,28,29,30)