(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(R)-(4-chlorophenyl)-phenyl-methyl]sulfanylethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(R)-(4-chlorophenyl)-phenyl-methyl]sulfanylethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(R)-(4-chlorophenyl)-phenyl-methyl]sulfanylacetate CAS Name: 2-[[(R)-(4-chlorophenyl)-phenylmethyl]thio]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate Traditional Name: 2-[[(R)-(4-chlorophenyl)-phenyl-methyl]thio]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CS[C@H](C1=CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-14(24)18(11-23)19(25)12-27-20(26)13-28-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18,21,24H,12-13H2,1H3/t18?,21-/m1/s1