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

Systemtic Name: (phenylmethyl) 2-[[5-(1,3-benzodioxol-5-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(piperonyloylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid benzyl ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C19H15N3O5S2/c23-16(25-9-12-4-2-1-3-5-12)10-28-19-22-21-18(29-19)20-17(24)13-6-7-14-15(8-13)27-11-26-14/h1-8H,9-11H2,(H,20,21,24)