ethyl 4-[(2S)-2-oxidanyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propoxy]benzoate

Systemtic Name: ethyl 4-[(2S)-2-oxidanyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propoxy]benzoate Openeye Name: ethyl 4-[(2S)-2-hydroxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propoxy]benzoate CAS Name: 4-[(2S)-2-hydroxy-3-(1,3,4-thiadiazol-2-ylthio)propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-hydroxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propoxy]benzoate Traditional Name: 4-[(2S)-2-hydroxy-3-(1,3,4-thiadiazol-2-ylthio)propoxy]benzoic acid ethyl ester Formula: C14H16N2O4S2 MolecularWeight: 340.41784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=CS2)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CSC2=NN=CS2)O

InChI

InChI=1S/C14H16N2O4S2/c1-2-19-13(18)10-3-5-12(6-4-10)20-7-11(17)8-21-14-16-15-9-22-14/h3-6,9,11,17H,2,7-8H2,1H3/t11-/m0/s1