(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSC1=CC=CC2=C1C(=CC=C2)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSC1=CC=CC2=C1C(=CC=C2)Cl

InChI

InChI=1S/C18H15ClN2O3S/c1-11(21)13(8-20)15(22)9-24-17(23)10-25-16-7-3-5-12-4-2-6-14(19)18(12)16/h2-7,13,21H,9-10H2,1H3