1,3-benzothiazol-2-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H16N2O2S3 MolecularWeight: 400.53754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N2O2S3/c22-18(23-12-17-20-13-6-1-3-8-15(13)25-17)10-5-11-24-19-21-14-7-2-4-9-16(14)26-19/h1-4,6-9H,5,10-12H2