methyl 3-methoxy-4-[(2S)-2-oxidanyl-3-pyridin-2-ylsulfanyl-propoxy]benzoate

Systemtic Name: methyl 3-methoxy-4-[(2S)-2-oxidanyl-3-pyridin-2-ylsulfanyl-propoxy]benzoate Openeye Name: methyl 4-[(2S)-2-hydroxy-3-(2-pyridylsulfanyl)propoxy]-3-methoxy-benzoate CAS Name: 4-[(2S)-2-hydroxy-3-(2-pyridinylthio)propoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-hydroxy-3-pyridin-2-ylsulfanylpropoxy]-3-methoxybenzoate Traditional Name: 4-[(2S)-2-hydroxy-3-(2-pyridylthio)propoxy]-3-methoxy-benzoic acid methyl ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(CSC2=CC=CC=N2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@@H](CSC2=CC=CC=N2)O

InChI

InChI=1S/C17H19NO5S/c1-21-15-9-12(17(20)22-2)6-7-14(15)23-10-13(19)11-24-16-5-3-4-8-18-16/h3-9,13,19H,10-11H2,1-2H3/t13-/m0/s1