methyl 4-[[2-cyano-5-(6-methoxypyridin-3-yl)phenyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[2-cyano-5-(6-methoxypyridin-3-yl)phenyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-cyano-5-(6-methoxy-3-pyridyl)phenyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-cyano-5-(6-methoxy-3-pyridinyl)phenyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-cyano-5-(6-methoxypyridin-3-yl)phenyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-cyano-5-(6-methoxy-3-pyridyl)phenyl]thio]methyl]benzoic acid methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2=CC(=C(C=C2)C#N)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=NC=C(C=C1)C2=CC(=C(C=C2)C#N)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H18N2O3S/c1-26-21-10-9-19(13-24-21)17-7-8-18(12-23)20(11-17)28-14-15-3-5-16(6-4-15)22(25)27-2/h3-11,13H,14H2,1-2H3