(4-nitrophenyl)methyl 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate CAS Name: 2-(1H-benzimidazol-2-ylthio)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate Traditional Name: 2-(1H-benzimidazol-2-ylthio)acetic acid (4-nitrobenzyl) ester Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c20-15(23-9-11-5-7-12(8-6-11)19(21)22)10-24-16-17-13-3-1-2-4-14(13)18-16/h1-8H,9-10H2,(H,17,18)