2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]ethanoate Openeye Name: 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetate CAS Name: 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]acetate IUPAC Name: 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]acetate Formula: C15H15N2O2S- MolecularWeight: 287.3568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C15H16N2O2S/c18-14(19)10-20-15-16-12-8-4-5-9-13(12)17(15)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,18,19)/p-1