(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methylphenyl)propanoate

Systemtic Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methylphenyl)propanoate Openeye Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-(p-tolyl)propanoate CAS Name: (2R)-2-(1H-benzimidazol-2-ylthio)-3-(4-methylphenyl)propanoate IUPAC Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methylphenyl)propanoate Traditional Name: (2R)-2-(1H-benzimidazol-2-ylthio)-3-(p-tolyl)propionate Formula: C17H15N2O2S- MolecularWeight: 311.3782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)[O-])SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C(=O)[O-])SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H16N2O2S/c1-11-6-8-12(9-7-11)10-15(16(20)21)22-17-18-13-4-2-3-5-14(13)19-17/h2-9,15H,10H2,1H3,(H,18,19)(H,20,21)/p-1/t15-/m1/s1