[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H15ClN2O3S MolecularWeight: 338.8092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCSC1=CC=CC=C1Cl

Isomeric SMILES

CC(=N)[C@H](C#N)C(=O)COC(=O)CCSC1=CC=CC=C1Cl

InChI

InChI=1S/C15H15ClN2O3S/c1-10(18)11(8-17)13(19)9-21-15(20)6-7-22-14-5-3-2-4-12(14)16/h2-5,11,18H,6-7,9H2,1H3/t11-/m0/s1