[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H17NO5S2 MolecularWeight: 415.48268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5S2/c22-15(13-7-8-16-17(10-13)26-12-25-16)11-24-19(23)6-3-9-27-20-21-14-4-1-2-5-18(14)28-20/h1-2,4-5,7-8,10H,3,6,9,11-12H2