phenacyl (2S)-2-(1H-benzimidazol-2-ylsulfanyl)propanoate

Systemtic Name: phenacyl (2S)-2-(1H-benzimidazol-2-ylsulfanyl)propanoate Openeye Name: phenacyl (2S)-2-(1H-benzimidazol-2-ylsulfanyl)propanoate CAS Name: (2S)-2-(1H-benzimidazol-2-ylthio)propanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-2-(1H-benzimidazol-2-ylsulfanyl)propanoate Traditional Name: (2S)-2-(1H-benzimidazol-2-ylthio)propionic acid phenacyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=CC=C1)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H16N2O3S/c1-12(24-18-19-14-9-5-6-10-15(14)20-18)17(22)23-11-16(21)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,20)/t12-/m0/s1