S-pyridin-2-yl 3-(3-methoxy-4-phenylmethoxy-phenyl)propanethioate

Systemtic Name: S-pyridin-2-yl 3-(3-methoxy-4-phenylmethoxy-phenyl)propanethioate Openeye Name: S-(2-pyridyl) 3-(4-benzyloxy-3-methoxy-phenyl)propanethioate CAS Name: 3-(3-methoxy-4-phenylmethoxyphenyl)propanethioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 3-(3-methoxy-4-phenylmethoxyphenyl)propanethioate Traditional Name: 3-(4-benzoxy-3-methoxy-phenyl)propanethioic acid S-(2-pyridyl) ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)SC2=CC=CC=N2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)SC2=CC=CC=N2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S/c1-25-20-15-17(11-13-22(24)27-21-9-5-6-14-23-21)10-12-19(20)26-16-18-7-3-2-4-8-18/h2-10,12,14-15H,11,13,16H2,1H3