2-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanylbenzoate

Systemtic Name: 2-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanylbenzoate Openeye Name: 2-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl]sulfanylbenzoate CAS Name: 2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]thio]benzoate IUPAC Name: 2-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]sulfanylbenzoate Traditional Name: 2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl]thio]benzoate Formula: C18H11N2O3S2- MolecularWeight: 367.42154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC(=O)/C(=C/2\NC3=CC=CC=C3S2)/C#N

InChI

InChI=1S/C18H12N2O3S2/c19-9-12(17-20-13-6-2-4-8-16(13)25-17)14(21)10-24-15-7-3-1-5-11(15)18(22)23/h1-8,20H,10H2,(H,22,23)/p-1/b17-12+