ethyl 4-[(2S)-3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2S)-3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2S)-3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=C(C(=CC(=N2)C)C)C#N)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CSC2=C(C(=CC(=N2)C)C)C#N)O

InChI

InChI=1S/C20H22N2O4S/c1-4-25-20(24)15-5-7-17(8-6-15)26-11-16(23)12-27-19-18(10-21)13(2)9-14(3)22-19/h5-9,16,23H,4,11-12H2,1-3H3/t16-/m0/s1