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

Systemtic Name: ethyl 2-[2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H22N4O4S2/c1-4-32-24(31)19-13(2)20(14(3)29)34-23(19)28-18(30)12-33-22-15(8-7-11-25-22)21-26-16-9-5-6-10-17(16)27-21/h5-11H,4,12H2,1-3H3,(H,26,27)(H,28,30)