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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C16H16N2O3S2/c1-10(18)13(8-17)14(19)9-21-15(20)11-2-4-12(5-3-11)16-22-6-7-23-16/h2-5,13,16,18H,6-7,9H2,1H3