2-(propan-2-ylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-(propan-2-ylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: 2-(isopropylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(propan-2-ylthio)methyl]-1,3-benzothiazole-6-carboxylate IUPAC Name: 2-(propan-2-ylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(isopropylthio)methyl]-1,3-benzothiazole-6-carboxylate Formula: C12H12NO2S2- MolecularWeight: 266.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=NC2=C(S1)C=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)SCC1=NC2=C(S1)C=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H13NO2S2/c1-7(2)16-6-11-13-9-4-3-8(12(14)15)5-10(9)17-11/h3-5,7H,6H2,1-2H3,(H,14,15)/p-1