2-(ethylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-(ethylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: 2-(ethylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(ethylthio)methyl]-1,3-benzothiazole-6-carboxylate IUPAC Name: 2-(ethylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(ethylthio)methyl]-1,3-benzothiazole-6-carboxylate Formula: C11H10NO2S2- MolecularWeight: 252.3326

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=NC2=C(S1)C=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCSCC1=NC2=C(S1)C=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C11H11NO2S2/c1-2-15-6-10-12-8-4-3-7(11(13)14)5-9(8)16-10/h3-5H,2,6H2,1H3,(H,13,14)/p-1