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

Systemtic Name: 1,3-benzodioxol-5-yl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: 1,3-benzodioxol-5-yl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid 1,3-benzodioxol-5-yl ester Formula: C18H15NO4S2 MolecularWeight: 373.446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO4S2/c20-17(23-12-7-8-14-15(10-12)22-11-21-14)6-3-9-24-18-19-13-4-1-2-5-16(13)25-18/h1-2,4-5,7-8,10H,3,6,9,11H2