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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H15N3O3S/c1-10(18)11(8-17)13(20)9-22-16(21)7-6-15-19-12-4-2-3-5-14(12)23-15/h2-5,11,18H,6-7,9H2,1H3