5-[(3-azanyl-6-methyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(3-azanyl-6-methyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(3-amino-6-methyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-chloro-benzoic acid CAS Name: 5-[[(3-amino-6-methyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-chlorobenzoic acid Traditional Name: 5-[(3-amino-6-methyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-chloro-benzoic acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)N

Isomeric SMILES

CC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)N

InChI

InChI=1S/C16H12ClN3O3S/c1-7-2-4-9-12(18)13(24-15(9)19-7)14(21)20-8-3-5-11(17)10(6-8)16(22)23/h2-6H,18H2,1H3,(H,20,21)(H,22,23)