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

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

CCOC(=O)CSC1=NN=C(S1)NC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3S2/c1-2-22-14(21)11-23-16-19-18-15(24-16)17-13(20)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,17,18,20)