1-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[[5-(propylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[5-(propylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]isonipecotic acid Formula: C13H19N3O3S3 MolecularWeight: 361.50326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)SCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCCSC1=NN=C(S1)SCC(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C13H19N3O3S3/c1-2-7-20-12-14-15-13(22-12)21-8-10(17)16-5-3-9(4-6-16)11(18)19/h9H,2-8H2,1H3,(H,18,19)