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

Systemtic Name: methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid methyl ester Formula: C12H13NO2S2 MolecularWeight: 267.36712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H13NO2S2/c1-15-11(14)7-4-8-16-12-13-9-5-2-3-6-10(9)17-12/h2-3,5-6H,4,7-8H2,1H3