(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-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 (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-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 (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C16H19N4O3S+ MolecularWeight: 347.41206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)OCC3=NC(=NO3)C(C)C)N)C

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)OCC3=NC(=NO3)C(C)C)N)C

InChI

InChI=1S/C16H18N4O3S/c1-7(2)14-19-10(23-20-14)6-22-16(21)13-12(17)11-8(3)5-9(4)18-15(11)24-13/h5,7H,6,17H2,1-4H3/p+1