S-[(3S)-3-cyano-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[(3S)-3-cyano-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(3S)-3-cyano-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(3S)-3-cyano-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-oxopropyl] ester IUPAC Name: S-[(3S)-3-cyano-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(3S)-3-cyano-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-keto-propyl] ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(C#N)C(=O)CSC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)[C@H](C#N)C(=O)CSC(=O)C

InChI

InChI=1S/C15H15N3O2S/c1-8-4-12-13(5-9(8)2)18-15(17-12)11(6-16)14(20)7-21-10(3)19/h4-5,11H,7H2,1-3H3,(H,17,18)/t11-/m1/s1