(phenylmethyl) 2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[(1-oxo-3-phenylpropyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(hydrocinnamoylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid benzyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S2/c24-17(12-11-15-7-3-1-4-8-15)21-19-22-23-20(28-19)27-14-18(25)26-13-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,22,24)