2-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanylethanoate

Systemtic Name: 2-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanylethanoate Openeye Name: 2-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl]sulfanylacetate CAS Name: 2-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]thio]acetate IUPAC Name: 2-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]sulfanylacetate Traditional Name: 2-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl]thio]acetate Formula: C13H9N2O3S2- MolecularWeight: 305.35216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSCC(=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(\C#N)/C(=O)CSCC(=O)[O-])/S2

InChI

InChI=1S/C13H10N2O3S2/c14-5-8(10(16)6-19-7-12(17)18)13-15-9-3-1-2-4-11(9)20-13/h1-4,15H,6-7H2,(H,17,18)/p-1/b13-8-