methyl 5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxidanylidene-pentanoate Openeye Name: methyl 5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxo-pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxopentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)-5-cyano-4-keto-valeric acid methyl ester Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C(C#N)C1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCC(=O)C(C#N)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H12N2O3S/c1-19-13(18)7-6-11(17)9(8-15)14-16-10-4-2-3-5-12(10)20-14/h2-5,9H,6-7H2,1H3