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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=CC=CC=C4C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=CC=CC=C4C(=O)O)N

InChI

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