methyl 2-[2-(5-nitropyridin-2-yl)sulfanylbenzimidazol-1-yl]ethanoate

Systemtic Name: methyl 2-[2-(5-nitropyridin-2-yl)sulfanylbenzimidazol-1-yl]ethanoate Openeye Name: methyl 2-[2-[(5-nitro-2-pyridyl)sulfanyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[(5-nitro-2-pyridinyl)thio]-1-benzimidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(5-nitropyridin-2-yl)sulfanylbenzimidazol-1-yl]acetate Traditional Name: 2-[2-[(5-nitro-2-pyridyl)thio]benzimidazol-1-yl]acetic acid methyl ester Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2N=C1SC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2N=C1SC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O4S/c1-23-14(20)9-18-12-5-3-2-4-11(12)17-15(18)24-13-7-6-10(8-16-13)19(21)22/h2-8H,9H2,1H3