ethyl 4-[[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]oxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]oxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-[(E)-3-p-phenetylacryloyl]oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5S/c1-4-31-19-12-9-17(10-13-19)11-14-22(29)33-20-8-6-7-18(15-20)27-23-21(24(30)32-5-2)16-26-25(28-23)34-3/h6-16H,4-5H2,1-3H3,(H,26,27,28)/b14-11+