[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC(=O)OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC(=O)OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H17N3O3S/c24-12-18(23-25-19-7-3-4-8-20(19)26-23)21(27)13-29-22(28)14-30-17-10-9-15-5-1-2-6-16(15)11-17/h1-11,18H,13-14H2,(H,25,26)