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

Systemtic Name: ethyl 6-ethyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 6-ethyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-ethyl-2-[(1-oxo-3-phenoxypropyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-3-23-12-10-16-17(14-23)28-20(19(16)21(25)26-4-2)22-18(24)11-13-27-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3,(H,22,24)/p+1