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

Systemtic Name: ethyl (2R)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl (2R)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: (2R)-2-[[5-[(1-oxo-3-phenylpropyl)amino]-1,3,4-thiadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: (2R)-2-[[5-(hydrocinnamoylamino)-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)OCC)SC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3S2/c1-3-13(15(22)23-4-2)24-17-20-19-16(25-17)18-14(21)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,18,19,21)/t13-/m1/s1