[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C20H17NO5S2 MolecularWeight: 415.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)CCSC3=NC4=CC=CC=C4S3

InChI

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