methyl 3-[2-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-benzimidazolyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[2-(4-aminofurazan-3-yl)benzimidazol-1-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H14N6O4S MolecularWeight: 398.39586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N

InChI

InChI=1S/C17H14N6O4S/c1-26-17(25)14-10(6-7-28-14)19-12(24)8-23-11-5-3-2-4-9(11)20-16(23)13-15(18)22-27-21-13/h2-7H,8H2,1H3,(H2,18,22)(H,19,24)