(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSC1=CC=C(C=C1)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSC1=CC=C(C=C1)OC

InChI

InChI=1S/C15H16N2O4S/c1-10(17)13(7-16)14(18)8-21-15(19)9-22-12-5-3-11(20-2)4-6-12/h3-6,13,17H,8-9H2,1-2H3