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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(1,3-dithian-2-yl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C17H18N2O3S2/c1-11(19)14(9-18)15(20)10-22-16(21)12-3-5-13(6-4-12)17-23-7-2-8-24-17/h3-6,14,17,19H,2,7-8,10H2,1H3