ethyl 5-azanyl-4-cyano-3-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(1-ethylbenzimidazol-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C18H18N4O2S2/c1-3-22-14-8-6-5-7-13(14)21-18(22)25-10-12-11(9-19)16(20)26-15(12)17(23)24-4-2/h5-8H,3-4,10,20H2,1-2H3