ethyl (E)-3-[4-[(4-methyl-6-methylsulfanyl-2-propan-2-yl-pyrimidin-5-yl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(4-methyl-6-methylsulfanyl-2-propan-2-yl-pyrimidin-5-yl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(2-isopropyl-4-methyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[[4-methyl-6-(methylthio)-2-propan-2-yl-5-pyrimidinyl]-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-isopropyl-4-methyl-6-(methylthio)pyrimidine-5-carbonyl]amino]phenyl]acrylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C(C)C)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C(C)C)C

InChI

InChI=1S/C21H25N3O3S/c1-6-27-17(25)12-9-15-7-10-16(11-8-15)23-20(26)18-14(4)22-19(13(2)3)24-21(18)28-5/h7-13H,6H2,1-5H3,(H,23,26)/b12-9+