methyl (E)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-3-methoxy-prop-2-enoate

Systemtic Name: methyl (E)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-3-methoxy-prop-2-enoate Openeye Name: methyl (E)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-3-methoxy-prop-2-enoate CAS Name: (E)-2-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-3-methoxy-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-3-methoxyprop-2-enoate Traditional Name: (E)-2-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]phenyl]-3-methoxy-acrylic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=COC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2/C(=C\OC)/C(=O)OC)C

InChI

InChI=1S/C18H20N2O3S/c1-12-9-13(2)20-18(19-12)24-11-14-7-5-6-8-15(14)16(10-22-3)17(21)23-4/h5-10H,11H2,1-4H3/b16-10+