methyl (E)-2-[2-(5-bromanylpyridin-2-yl)sulfanylphenyl]-3-methoxy-prop-2-enoate

Systemtic Name: methyl (E)-2-[2-(5-bromanylpyridin-2-yl)sulfanylphenyl]-3-methoxy-prop-2-enoate Openeye Name: methyl (E)-2-[2-[(5-bromo-2-pyridyl)sulfanyl]phenyl]-3-methoxy-prop-2-enoate CAS Name: (E)-2-[2-[(5-bromo-2-pyridinyl)thio]phenyl]-3-methoxy-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-[2-(5-bromopyridin-2-yl)sulfanylphenyl]-3-methoxyprop-2-enoate Traditional Name: (E)-2-[2-[(5-bromo-2-pyridyl)thio]phenyl]-3-methoxy-acrylic acid methyl ester Formula: C16H14BrNO3S MolecularWeight: 380.25626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO3S/c1-20-10-13(16(19)21-2)12-5-3-4-6-14(12)22-15-8-7-11(17)9-18-15/h3-10H,1-2H3/b13-10+