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

Systemtic Name: 2-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanylethanoic acid Openeye Name: 2-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl]sulfanylacetic acid CAS Name: 2-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]thio]acetic acid IUPAC Name: 2-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]sulfanylacetic acid Traditional Name: 2-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl]thio]acetic acid Formula: C13H10N2O3S2 MolecularWeight: 306.3601

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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)/b13-8-