ethyl 4-[[3-(4-iodophenyl)carbonyloxyphenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(4-iodophenyl)carbonyloxyphenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-[3-(4-iodobenzoyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 4-[3-[(4-iodophenyl)-oxomethoxy]anilino]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-[3-(4-iodobenzoyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-[3-(4-iodobenzoyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C27H22IN3O4S MolecularWeight: 611.45075

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)I)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)I)SCC4=CC=CC=C4

InChI

InChI=1S/C27H22IN3O4S/c1-2-34-26(33)23-16-29-27(36-17-18-7-4-3-5-8-18)31-24(23)30-21-9-6-10-22(15-21)35-25(32)19-11-13-20(28)14-12-19/h3-16H,2,17H2,1H3,(H,29,30,31)