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

Systemtic Name: 1-[2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]isonipecotic acid Formula: C14H21N3O3S3 MolecularWeight: 375.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)SCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCCCSC1=NN=C(S1)SCC(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H21N3O3S3/c1-2-3-8-21-13-15-16-14(23-13)22-9-11(18)17-6-4-10(5-7-17)12(19)20/h10H,2-9H2,1H3,(H,19,20)