3-[[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-[[2-(tert-butylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]thio]propanoate IUPAC Name: 3-[[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[[2-(tert-butylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]thio]propionate Formula: C11H16N3O3S3- MolecularWeight: 334.45804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(S1)SCCC(=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(S1)SCCC(=O)[O-]

InChI

InChI=1S/C11H17N3O3S3/c1-11(2,3)12-7(15)6-19-10-14-13-9(20-10)18-5-4-8(16)17/h4-6H2,1-3H3,(H,12,15)(H,16,17)/p-1