5-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid

Systemtic Name: 5-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid Openeye Name: 5-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid CAS Name: 5-[(4-methyl-1,3-benzothiazol-2-yl)thio]pentanoic acid IUPAC Name: 5-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid Traditional Name: 5-[(4-methyl-1,3-benzothiazol-2-yl)thio]valeric acid Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)SCCCCC(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)SCCCCC(=O)O

InChI

InChI=1S/C13H15NO2S2/c1-9-5-4-6-10-12(9)14-13(18-10)17-8-3-2-7-11(15)16/h4-6H,2-3,7-8H2,1H3,(H,15,16)