5-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-chloro-benzoic acid CAS Name: 5-[[(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-chlorobenzoic acid Traditional Name: 5-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-chloro-benzoic acid Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O3S/c1-7-5-8(2)20-16-12(7)13(19)14(25-16)15(22)21-9-3-4-11(18)10(6-9)17(23)24/h3-6H,19H2,1-2H3,(H,21,22)(H,23,24)