butyl 4-[(3-azanyl-4,5,6-trimethyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(3-azanyl-4,5,6-trimethyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(3-amino-4,5,6-trimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-amino-4,5,6-trimethyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-amino-4,5,6-trimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid butyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(C(=C(N=C3S2)C)C)C)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(C(=C(N=C3S2)C)C)C)N

InChI

InChI=1S/C22H25N3O3S/c1-5-6-11-28-22(27)15-7-9-16(10-8-15)25-20(26)19-18(23)17-13(3)12(2)14(4)24-21(17)29-19/h7-10H,5-6,11,23H2,1-4H3,(H,25,26)