2-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)thio]acetic acid IUPAC Name: 2-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(6-carbethoxy-1,3-benzothiazol-2-yl)thio]acetic acid Formula: C12H11NO4S2 MolecularWeight: 297.35004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)SCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)SCC(=O)O

InChI

InChI=1S/C12H11NO4S2/c1-2-17-11(16)7-3-4-8-9(5-7)19-12(13-8)18-6-10(14)15/h3-5H,2,6H2,1H3,(H,14,15)