methyl (Z)-3-methoxy-2-[3-methyl-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]phenyl]prop-2-enoate

Systemtic Name: methyl (Z)-3-methoxy-2-[3-methyl-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]phenyl]prop-2-enoate Openeye Name: methyl (Z)-3-methoxy-2-[3-methyl-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]phenyl]prop-2-enoate CAS Name: (Z)-3-methoxy-2-[3-methyl-2-[(5-phenyl-2-pyrimidinyl)methylthio]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-methoxy-2-[3-methyl-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]phenyl]prop-2-enoate Traditional Name: (Z)-3-methoxy-2-[3-methyl-2-[(5-phenylpyrimidin-2-yl)methylthio]phenyl]acrylic acid methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1SCC2=NC=C(C=N2)C3=CC=CC=C3)C(=COC)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1SCC2=NC=C(C=N2)C3=CC=CC=C3)/C(=C/OC)/C(=O)OC

InChI

InChI=1S/C23H22N2O3S/c1-16-8-7-11-19(20(14-27-2)23(26)28-3)22(16)29-15-21-24-12-18(13-25-21)17-9-5-4-6-10-17/h4-14H,15H2,1-3H3/b20-14-