1,3-benzodioxol-5-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid piperonyl ester Formula: C19H17NO4S2 MolecularWeight: 387.47258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17NO4S2/c21-18(22-11-13-7-8-15-16(10-13)24-12-23-15)6-3-9-25-19-20-14-4-1-2-5-17(14)26-19/h1-2,4-5,7-8,10H,3,6,9,11-12H2