methyl 2-[2-[2-(5-nitrothiophen-2-yl)benzimidazol-1-yl]ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[2-[2-(5-nitrothiophen-2-yl)benzimidazol-1-yl]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[2-[2-(5-nitro-2-thienyl)benzimidazol-1-yl]acetyl]amino]propanoate CAS Name: 3-hydroxy-2-[[2-[2-(5-nitro-2-thiophenyl)-1-benzimidazolyl]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[2-[2-(5-nitrothiophen-2-yl)benzimidazol-1-yl]acetyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[2-[2-(5-nitro-2-thienyl)benzimidazol-1-yl]acetyl]amino]propionic acid methyl ester Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CN1C2=CC=CC=C2N=C1C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CO)NC(=O)CN1C2=CC=CC=C2N=C1C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S/c1-27-17(24)11(9-22)18-14(23)8-20-12-5-3-2-4-10(12)19-16(20)13-6-7-15(28-13)21(25)26/h2-7,11,22H,8-9H2,1H3,(H,18,23)