tert-butyl 4-[[5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: tert-butyl 4-[[5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate Openeye Name: tert-butyl 4-[[5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-methyl-2-(methylthio)-4-pyrimidinyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-methyl-2-methylsulfanylpyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-[(E)-3-ethoxy-3-keto-prop-1-enyl]-6-methyl-2-(methylthio)pyrimidin-4-yl]amino]benzoic acid tert-butyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(N=C(N=C1NC2=CC=C(C=C2)C(=O)OC(C)(C)C)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-7-28-18(26)13-12-17-14(2)23-21(30-6)25-19(17)24-16-10-8-15(9-11-16)20(27)29-22(3,4)5/h8-13H,7H2,1-6H3,(H,23,24,25)/b13-12+