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

Systemtic Name: ethyl 2-(2-phenoxyethanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 6-isopropyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[(1-oxo-2-phenoxyethyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-phenoxyacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-isopropyl-2-[(2-phenoxyacetyl)amino]-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:

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)C(C)C)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)C(C)C)NC(=O)COC3=CC=CC=C3

InChI

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