ethyl 2-[5-(2-ethanoylsulfanylbutanoylamino)-1,3,4-thiadiazol-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-(2-ethanoylsulfanylbutanoylamino)-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: ethyl 2-[5-(2-acetylsulfanylbutanoylamino)-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-[[2-(acetylthio)-1-oxobutyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-acetylsulfanylbutanoylamino)-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-[2-(acetylthio)butanoylamino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester Formula: C12H17N3O4S2 MolecularWeight: 331.41108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)CC(=O)OCC)SC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)CC(=O)OCC)SC(=O)C

InChI

InChI=1S/C12H17N3O4S2/c1-4-8(20-7(3)16)11(18)13-12-15-14-9(21-12)6-10(17)19-5-2/h8H,4-6H2,1-3H3,(H,13,15,18)