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

Systemtic Name: methyl 4-[(3-azanyl-4,6-diphenyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(3-amino-4,6-diphenyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-amino-4,6-diphenyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-amino-4,6-diphenyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid methyl ester Formula: C28H21N3O3S MolecularWeight: 479.54964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C28H21N3O3S/c1-34-28(33)19-12-14-20(15-13-19)30-26(32)25-24(29)23-21(17-8-4-2-5-9-17)16-22(31-27(23)35-25)18-10-6-3-7-11-18/h2-16H,29H2,1H3,(H,30,32)