ethyl 2-azanyl-6-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-amino-6-(2-ethoxy-1,1-dimethyl-2-oxo-ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-amino-6-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-amino-6-(2-ethoxy-2-keto-1,1-dimethyl-ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C16H25N2O4S+ MolecularWeight: 341.4457

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)C(C)(C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)C(C)(C)C(=O)OCC)N

InChI

InChI=1S/C16H24N2O4S/c1-5-21-14(19)12-10-7-8-18(9-11(10)23-13(12)17)16(3,4)15(20)22-6-2/h5-9,17H2,1-4H3/p+1