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

Systemtic Name: 2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanylbenzoic acid Openeye Name: 2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl]sulfanylbenzoic acid CAS Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]thio]benzoic acid IUPAC Name: 2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]sulfanylbenzoic acid Traditional Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl]thio]benzoic acid Formula: C18H12N2O3S2 MolecularWeight: 368.42948

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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(=C2NC3=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)