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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-[(E)-3-(4-nitrophenyl)acryloyl]oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H20N4O6S MolecularWeight: 480.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])SC

InChI

InChI=1S/C23H20N4O6S/c1-3-32-22(29)19-14-24-23(34-2)26-21(19)25-16-5-4-6-18(13-16)33-20(28)12-9-15-7-10-17(11-8-15)27(30)31/h4-14H,3H2,1-2H3,(H,24,25,26)/b12-9+