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

Systemtic Name: ethyl 5-azanyl-3-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H13ClN4O2S2 MolecularWeight: 392.88302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN4O2S2/c1-2-23-15(22)13-10(9(6-18)14(19)25-13)7-24-16-20-11-4-3-8(17)5-12(11)21-16/h3-5H,2,7,19H2,1H3,(H,20,21)