(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CSC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CSC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H13N3O3S/c1-10(18)12(7-17)14(20)8-22-16(21)13-9-23-15(19-13)11-5-3-2-4-6-11/h2-6,9,12,18H,8H2,1H3