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

Systemtic Name: 2-[[3-azanyl-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[3-amino-6-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid Traditional Name: 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=CC=CC=C4C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=CC=CC=C4C(=O)O)N

InChI

InChI=1S/C22H17N3O4S/c1-29-13-8-6-12(7-9-13)16-11-10-15-18(23)19(30-21(15)25-16)20(26)24-17-5-3-2-4-14(17)22(27)28/h2-11H,23H2,1H3,(H,24,26)(H,27,28)