[(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 2-phenylsulfanylethanoate

Systemtic Name: [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 2-phenylsulfanylethanoate Openeye Name: [(1S)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(1S)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S/c1-13(26-18(24)12-27-14-7-3-2-4-8-14)19(25)15(11-21)20-22-16-9-5-6-10-17(16)23-20/h2-10,13,22-23H,12H2,1H3/t13-/m0/s1