methyl (Z)-3-methoxy-2-[2-(3-pyrimidin-2-yloxyphenyl)sulfanylphenyl]prop-2-enoate

Systemtic Name: methyl (Z)-3-methoxy-2-[2-(3-pyrimidin-2-yloxyphenyl)sulfanylphenyl]prop-2-enoate Openeye Name: methyl (Z)-3-methoxy-2-[2-(3-pyrimidin-2-yloxyphenyl)sulfanylphenyl]prop-2-enoate CAS Name: (Z)-3-methoxy-2-[2-[[3-(2-pyrimidinyloxy)phenyl]thio]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-methoxy-2-[2-(3-pyrimidin-2-yloxyphenyl)sulfanylphenyl]prop-2-enoate Traditional Name: (Z)-3-methoxy-2-[2-[[3-(2-pyrimidyloxy)phenyl]thio]phenyl]acrylic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC=C(C1=CC=CC=C1SC2=CC=CC(=C2)OC3=NC=CC=N3)C(=O)OC

Isomeric SMILES

CO/C=C(/C1=CC=CC=C1SC2=CC=CC(=C2)OC3=NC=CC=N3)\C(=O)OC

InChI

InChI=1S/C21H18N2O4S/c1-25-14-18(20(24)26-2)17-9-3-4-10-19(17)28-16-8-5-7-15(13-16)27-21-22-11-6-12-23-21/h3-14H,1-2H3/b18-14-