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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid piperonyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O4S2/c22-16(23-9-12-6-7-14-15(8-12)25-11-24-14)10-26-18-21-20-17(27-18)19-13-4-2-1-3-5-13/h6-8,13H,1-5,9-11H2,(H,19,20)