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

Systemtic Name: butyl 3-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoate Openeye Name: butyl 3-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoate CAS Name: 3-[[(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate Traditional Name: 3-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid butyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N

InChI

InChI=1S/C21H23N3O3S/c1-4-5-9-27-21(26)14-7-6-8-15(11-14)24-19(25)18-17(22)16-12(2)10-13(3)23-20(16)28-18/h6-8,10-11H,4-5,9,22H2,1-3H3,(H,24,25)