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(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1,3-benzothiazole-6-carboxylate

(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1,3-benzothiazole-6-carboxylate

Systemtic Name:(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1,3-benzothiazole-6-carboxylate
Openeye Name:(3-cyano-4-imino-2-oxo-pentyl) 1,3-benzothiazole-6-carboxylate
CAS Name:1,3-benzothiazole-6-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester
IUPAC Name:(3-cyano-4-imino-2-oxopentyl) 1,3-benzothiazole-6-carboxylate
Traditional Name:1,3-benzothiazole-6-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester
Formula: C14H11N3O3S
MolecularWeight: 301.32044
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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(C=C1)N=CS2


Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(C=C1)N=CS2


InChI

InChI=1S/C14H11N3O3S/c1-8(16)10(5-15)12(18)6-20-14(19)9-2-3-11-13(4-9)21-7-17-11/h2-4,7,10,16H,6H2,1H3


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