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

Systemtic Name: methyl (Z)-2-[3-methyl-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]phenyl]-3-oxidanyl-prop-2-enoate Openeye Name: methyl (Z)-3-hydroxy-2-[3-methyl-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]phenyl]prop-2-enoate CAS Name: (Z)-3-hydroxy-2-[3-methyl-2-[(5-phenyl-2-pyrimidinyl)methylthio]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-hydroxy-2-[3-methyl-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]phenyl]prop-2-enoate Traditional Name: (Z)-3-hydroxy-2-[3-methyl-2-[(5-phenylpyrimidin-2-yl)methylthio]phenyl]acrylic acid methyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-15-7-6-10-18(19(13-25)22(26)27-2)21(15)28-14-20-23-11-17(12-24-20)16-8-4-3-5-9-16/h3-13,25H,14H2,1-2H3/b19-13-