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

Systemtic Name: ethyl 4-[[4-[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]oxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-[(E)-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(E)-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O6S/c1-5-33-21-13-7-17(15-22(21)32-3)8-14-23(30)35-19-11-9-18(10-12-19)28-24-20(25(31)34-6-2)16-27-26(29-24)36-4/h7-16H,5-6H2,1-4H3,(H,27,28,29)/b14-8+