S-[(3R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[(3R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(3R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(3R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: S-[(3R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(3R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C(C#N)C1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(=O)SCC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C13H11N3O2S/c1-8(17)19-7-12(18)9(6-14)13-15-10-4-2-3-5-11(10)16-13/h2-5,9H,7H2,1H3,(H,15,16)/t9-/m0/s1