ethyl 4-[[5-(2-ethylhexanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate

Systemtic Name: ethyl 4-[[5-(2-ethylhexanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[5-(2-ethylhexanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 4-[[5-[(2-ethyl-1-oxohexyl)amino]-1,3,4-thiadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(2-ethylhexanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 4-[[5-(2-ethylhexanoylamino)-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C16H27N3O3S2 MolecularWeight: 373.53388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=NN=C(S1)SCCCC(=O)OCC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=NN=C(S1)SCCCC(=O)OCC

InChI

InChI=1S/C16H27N3O3S2/c1-4-7-9-12(5-2)14(21)17-15-18-19-16(24-15)23-11-8-10-13(20)22-6-3/h12H,4-11H2,1-3H3,(H,17,18,21)