methyl 6-(azepan-1-ylmethyl)-3-[(5-methylthiophen-2-yl)carbonylamino]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 6-(azepan-1-ylmethyl)-3-[(5-methylthiophen-2-yl)carbonylamino]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-(azepan-1-ylmethyl)-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-(1-azepanylmethyl)-3-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(azepan-1-ylmethyl)-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-(azepan-1-ylmethyl)-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC2=C(SC3=C2C=CC(=N3)CN4CCCCCC4)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)NC2=C(SC3=C2C=CC(=N3)CN4CCCCCC4)C(=O)OC

InChI

InChI=1S/C22H25N3O3S2/c1-14-7-10-17(29-14)20(26)24-18-16-9-8-15(13-25-11-5-3-4-6-12-25)23-21(16)30-19(18)22(27)28-2/h7-10H,3-6,11-13H2,1-2H3,(H,24,26)