5-(1,3-benzothiazol-2-ylsulfanyl)pentanoic acid

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanyl)pentanoic acid Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanyl)pentanoic acid CAS Name: 5-(1,3-benzothiazol-2-ylthio)pentanoic acid IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanyl)pentanoic acid Traditional Name: 5-(1,3-benzothiazol-2-ylthio)valeric acid Formula: C12H13NO2S2 MolecularWeight: 267.36712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCCC(=O)O

InChI

InChI=1S/C12H13NO2S2/c14-11(15)7-3-4-8-16-12-13-9-5-1-2-6-10(9)17-12/h1-2,5-6H,3-4,7-8H2,(H,14,15)