4-[(3-azanyl-6-phenyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(3-azanyl-6-phenyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(3-amino-6-phenyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid CAS Name: 4-[[(3-amino-6-phenyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(3-amino-6-phenylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid Traditional Name: 4-[(3-amino-6-phenyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid Formula: C21H15N3O3S MolecularWeight: 389.4271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C21H15N3O3S/c22-17-15-10-11-16(12-4-2-1-3-5-12)24-20(15)28-18(17)19(25)23-14-8-6-13(7-9-14)21(26)27/h1-11H,22H2,(H,23,25)(H,26,27)