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

Systemtic Name: ethyl 4-[(3-azanyl-6-pyridin-4-yl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[[3-amino-6-(4-pyridyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoate CAS Name: 4-[[(3-amino-6-pyridin-4-yl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate Traditional Name: 4-[[3-amino-6-(4-pyridyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid ethyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N

InChI

InChI=1S/C22H18N4O3S/c1-2-29-22(28)14-3-5-15(6-4-14)25-20(27)19-18(23)16-7-8-17(26-21(16)30-19)13-9-11-24-12-10-13/h3-12H,2,23H2,1H3,(H,25,27)