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

Systemtic Name: (phenylmethyl) 2-[[5-[2-(phenylmethylsulfanyl)ethanoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-[(2-benzylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-[(2-benzylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[[2-(benzylthio)acetyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid benzyl ester Formula: C20H19N3O3S3 MolecularWeight: 445.57816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(S2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(S2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S3/c24-17(13-27-12-16-9-5-2-6-10-16)21-19-22-23-20(29-19)28-14-18(25)26-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,21,22,24)