[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-chlorophenyl)thio]propanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-chlorophenyl)thio]propionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-12(28-14-8-6-13(21)7-9-14)20(26)27-11-18(25)15(10-22)19-23-16-4-2-3-5-17(16)24-19/h2-9,12,23-24H,11H2,1H3/t12-/m1/s1