(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C19H20N4O7S2 MolecularWeight: 480.5147

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O7S2/c1-2-22-15-4-3-13(32(27,28)21-7-9-29-10-8-21)11-14(15)20-17(22)12-30-19(24)16-5-6-18(31-16)23(25)26/h3-6,11H,2,7-10,12H2,1H3