ethyl 5-azanyl-4-cyano-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C18H18N4O3S2/c1-3-24-10-5-6-13-14(7-10)22-18(21-13)26-9-12-11(8-19)16(20)27-15(12)17(23)25-4-2/h5-7H,3-4,9,20H2,1-2H3,(H,21,22)