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

Systemtic Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)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-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl] ester Formula: C20H13N3O4S MolecularWeight: 391.39992

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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)C#N)S2

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O4S/c21-9-13-5-7-14(8-6-13)26-12-19(25)27-11-17(24)15(10-22)20-23-16-3-1-2-4-18(16)28-20/h1-8,23H,11-12H2