ethyl 2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]propanoate

Systemtic Name: ethyl 2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]propanoate CAS Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]propanoate Traditional Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)thio]propionic acid ethyl ester Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(S1)C=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(S1)C=CC(=C2)C#N

InChI

InChI=1S/C13H12N2O2S2/c1-3-17-12(16)8(2)18-13-15-10-6-9(7-14)4-5-11(10)19-13/h4-6,8H,3H2,1-2H3