methyl 3-[2-(4-methylphenyl)sulfonylethanoylamino]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-[2-(4-methylphenyl)sulfonylethanoylamino]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[[2-(p-tolylsulfonyl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-[(2-tosylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(SC3=C2C=CC=N3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(SC3=C2C=CC=N3)C(=O)OC

InChI

InChI=1S/C18H16N2O5S2/c1-11-5-7-12(8-6-11)27(23,24)10-14(21)20-15-13-4-3-9-19-17(13)26-16(15)18(22)25-2/h3-9H,10H2,1-2H3,(H,20,21)