[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2R)-2-[(4-bromophenyl)methylthio]propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2R)-2-[(4-bromobenzyl)thio]propionic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(C#N)C(=N)C)SCC1=CC=C(C=C1)Br

Isomeric SMILES

C[C@H](C(=O)OCC(=O)[C@@H](C#N)C(=N)C)SCC1=CC=C(C=C1)Br

InChI

InChI=1S/C16H17BrN2O3S/c1-10(19)14(7-18)15(20)8-22-16(21)11(2)23-9-12-3-5-13(17)6-4-12/h3-6,11,14,19H,8-9H2,1-2H3/t11-,14+/m1/s1