2-(1,3-benzothiazol-2-ylsulfanylmethyl)pent-4-enoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pent-4-enoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pent-4-enoic acid CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-pentenoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pent-4-enoic acid Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]pent-4-enoic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CSC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

C=CCC(CSC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C13H13NO2S2/c1-2-5-9(12(15)16)8-17-13-14-10-6-3-4-7-11(10)18-13/h2-4,6-7,9H,1,5,8H2,(H,15,16)