2-[(2-bromanyl-3,4-dimethyl-5-oxidanyl-7-oxidanylidene-thieno[3,2-b]pyridin-6-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(2-bromanyl-3,4-dimethyl-5-oxidanyl-7-oxidanylidene-thieno[3,2-b]pyridin-6-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(2-bromo-5-hydroxy-3,4-dimethyl-7-oxo-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid CAS Name: 2-[[(2-bromo-5-hydroxy-3,4-dimethyl-7-oxo-6-thieno[3,2-b]pyridinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(2-bromo-5-hydroxy-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid Traditional Name: 2-[(2-bromo-5-hydroxy-7-keto-3,4-dimethyl-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid Formula: C12H11BrN2O5S MolecularWeight: 375.19514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1N(C(=C(C2=O)C(=O)NCC(=O)O)O)C)Br

Isomeric SMILES

CC1=C(SC2=C1N(C(=C(C2=O)C(=O)NCC(=O)O)O)C)Br

InChI

InChI=1S/C12H11BrN2O5S/c1-4-7-9(21-10(4)13)8(18)6(12(20)15(7)2)11(19)14-3-5(16)17/h20H,3H2,1-2H3,(H,14,19)(H,16,17)