(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H15N3O3S/c1-12(22)15(10-21)17(24)11-26-20(25)14-7-3-2-6-13(14)19-23-16-8-4-5-9-18(16)27-19/h2-9,15,22H,11H2,1H3