ethyl 2-benzamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 2-benzamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-benzamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-benzamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-benzamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S/c1-3-21-11-10-14-15(12-21)25-18(16(14)19(23)24-4-2)20-17(22)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,20,22)/p+1