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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid piperonyl ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO4S/c21-19(22-11-13-8-9-15-16(10-13)24-12-23-15)7-3-6-18-20-14-4-1-2-5-17(14)25-18/h1-2,4-5,8-10H,3,6-7,11-12H2