ethyl (E)-3-[4-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propanoylamino]phenyl]acrylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SC)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SC)C

InChI

InChI=1S/C20H23N3O4S/c1-4-27-18(25)12-7-14-5-8-15(9-6-14)22-17(24)11-10-16-13(2)21-20(28-3)23-19(16)26/h5-9,12H,4,10-11H2,1-3H3,(H,22,24)(H,21,23,26)/b12-7+