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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)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-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17NO5S/c22-15(13-8-9-16-17(10-13)26-12-25-16)11-24-20(23)7-3-6-19-21-14-4-1-2-5-18(14)27-19/h1-2,4-5,8-10H,3,6-7,11-12H2