5-azanyl-4-cyano-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-azanyl-4-cyano-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-amino-4-cyano-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-amino-4-cyano-3-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-amino-4-cyano-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-amino-4-cyano-3-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-2-thenoic acid Formula: C15H12N4O3S2 MolecularWeight: 360.41078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=C(SC(=C3C#N)N)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=C(SC(=C3C#N)N)C(=O)O

InChI

InChI=1S/C15H12N4O3S2/c1-22-7-2-3-10-11(4-7)19-15(18-10)23-6-9-8(5-16)13(17)24-12(9)14(20)21/h2-4H,6,17H2,1H3,(H,18,19)(H,20,21)