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

Systemtic Name: 1,3-benzodioxol-5-yl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: 1,3-benzodioxol-5-yl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid 1,3-benzodioxol-5-yl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO4S/c20-18(23-12-8-9-14-15(10-12)22-11-21-14)7-3-6-17-19-13-4-1-2-5-16(13)24-17/h1-2,4-5,8-10H,3,6-7,11H2