ethyl 1-ethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-3-20-15-7-5-12(17(22)25-4-2)11-14(15)19-18(20)27-10-9-13-6-8-16(26-13)21(23)24/h5-11H,3-4H2,1-2H3/b10-9+