ethyl (2S)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC3=C(N2)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=C(N2)C=C(C=C3)C

InChI

InChI=1S/C18H18N2O2S/c1-3-22-17(21)16(13-7-5-4-6-8-13)23-18-19-14-10-9-12(2)11-15(14)20-18/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m0/s1