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

Systemtic Name: ethyl 2-[[5-(2-phenylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(2-phenylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[(1-oxo-2-phenylbutyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-phenylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-phenylbutanoylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=NN=C(S2)SCC(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=NN=C(S2)SCC(=O)OCC

InChI

InChI=1S/C16H19N3O3S2/c1-3-12(11-8-6-5-7-9-11)14(21)17-15-18-19-16(24-15)23-10-13(20)22-4-2/h5-9,12H,3-4,10H2,1-2H3,(H,17,18,21)