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

Systemtic Name: ethyl 4-[[5-(2-phenylmethoxyethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[5-[(2-benzyloxyacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 4-[[5-[(1-oxo-2-phenylmethoxyethyl)amino]-1,3,4-thiadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(2-phenylmethoxyacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 4-[[5-[(2-benzoxyacetyl)amino]-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NN=C(S1)NC(=O)COCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(S1)NC(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4S2/c1-2-24-15(22)9-6-10-25-17-20-19-16(26-17)18-14(21)12-23-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19,21)