2-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)carbonylamino]ethanoate

Systemtic Name: 2-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)carbonylamino]ethanoate Openeye Name: 2-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]acetate CAS Name: 2-[[(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridin-7-iumyl)-oxomethyl]amino]acetate IUPAC Name: 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]acetate Traditional Name: 2-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]acetate Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)NCC(=O)[O-])N)C

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)NCC(=O)[O-])N)C

InChI

InChI=1S/C12H13N3O3S/c1-5-3-6(2)15-12-8(5)9(13)10(19-12)11(18)14-4-7(16)17/h3H,4,13H2,1-2H3,(H,14,18)(H,16,17)