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

Systemtic Name: 3-[(3-azanyl-4,6-diphenyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(3-amino-4,6-diphenyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(3-amino-4,6-diphenyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(3-amino-4,6-diphenyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid Formula: C27H19N3O3S MolecularWeight: 465.52306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)NC4=CC=CC(=C4)C(=O)O)N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)NC4=CC=CC(=C4)C(=O)O)N)C5=CC=CC=C5

InChI

InChI=1S/C27H19N3O3S/c28-23-22-20(16-8-3-1-4-9-16)15-21(17-10-5-2-6-11-17)30-26(22)34-24(23)25(31)29-19-13-7-12-18(14-19)27(32)33/h1-15H,28H2,(H,29,31)(H,32,33)