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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(C#N)C(=N)C)SC1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)[C@H](C#N)C(=N)C)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H15ClN2O3S/c1-9(18)13(7-17)14(19)8-21-15(20)10(2)22-12-5-3-11(16)4-6-12/h3-6,10,13,18H,8H2,1-2H3/t10-,13-/m1/s1