[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl] ester Formula: C19H13BrN2O4S MolecularWeight: 445.28652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)COC3=CC=C(C=C3)Br)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)COC3=CC=C(C=C3)Br)S2

InChI

InChI=1S/C19H13BrN2O4S/c20-12-5-7-13(8-6-12)25-11-18(24)26-10-16(23)14(9-21)19-22-15-3-1-2-4-17(15)27-19/h1-8,22H,10-11H2