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

Systemtic Name: ethyl 4-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridin-7-iumyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]benzoic acid ethyl ester Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3C)C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3C)C)N

InChI

InChI=1S/C19H19N3O3S/c1-4-25-19(24)12-5-7-13(8-6-12)22-17(23)16-15(20)14-10(2)9-11(3)21-18(14)26-16/h5-9H,4,20H2,1-3H3,(H,22,23)/p+1