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

Systemtic Name: ethyl 4-[[3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]oxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-[(E)-3-(4-tert-butylphenyl)acryloyl]oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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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)C(C)(C)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-6-33-25(32)22-17-28-26(35-5)30-24(22)29-20-8-7-9-21(16-20)34-23(31)15-12-18-10-13-19(14-11-18)27(2,3)4/h7-17H,6H2,1-5H3,(H,28,29,30)/b15-12+