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

Systemtic Name: 3-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)N)C

InChI

InChI=1S/C17H15N3O3S/c1-8-6-9(2)19-16-12(8)13(18)14(24-16)15(21)20-11-5-3-4-10(7-11)17(22)23/h3-7H,18H2,1-2H3,(H,20,21)(H,22,23)