ethyl 2-[1-(2-nitrophenyl)carbonylbenzimidazol-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-(2-nitrophenyl)carbonylbenzimidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[(2-nitrophenyl)-oxomethyl]-2-benzimidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2-nitrobenzoyl)benzimidazol-2-yl]thio]acetic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-2-26-16(22)11-27-18-19-13-8-4-6-10-15(13)20(18)17(23)12-7-3-5-9-14(12)21(24)25/h3-10H,2,11H2,1H3