ethyl 5-[2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H19N5O3S2 MolecularWeight: 477.55866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3)C#N)C

InChI

InChI=1S/C23H19N5O3S2/c1-3-31-23(30)19-13(2)15(11-24)22(33-19)28-18(29)12-32-21-14(7-6-10-25-21)20-26-16-8-4-5-9-17(16)27-20/h4-10H,3,12H2,1-2H3,(H,26,27)(H,28,29)