(2-ethyl-1,3-thiazol-4-yl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: (2-ethylthiazol-4-yl)methyl 3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid (2-ethylthiazol-4-yl)methyl ester Formula: C16H18N3O2S2+ MolecularWeight: 348.46302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3C)C)N

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3C)C)N

InChI

InChI=1S/C16H17N3O2S2/c1-4-11-19-10(7-22-11)6-21-16(20)14-13(17)12-8(2)5-9(3)18-15(12)23-14/h5,7H,4,6,17H2,1-3H3/p+1