methyl 2-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[(4-nitrophenyl)methyl]-2-benzimidazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-nitrobenzyl)benzimidazol-2-yl]thio]acetic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-24-16(21)11-25-17-18-14-4-2-3-5-15(14)19(17)10-12-6-8-13(9-7-12)20(22)23/h2-9H,10-11H2,1H3