[(1R)-1-(3-nitrophenyl)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CN2C3=CC=CC=C3N=C2CSC

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CN2C3=CC=CC=C3N=C2CSC

InChI

InChI=1S/C19H19N3O4S/c1-13(14-6-5-7-15(10-14)22(24)25)26-19(23)11-21-17-9-4-3-8-16(17)20-18(21)12-27-2/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1