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

Systemtic Name: ethyl 6-ethyl-2-(2-phenylsulfanylethanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-ethyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-[[2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C20H25N2O3S2+ MolecularWeight: 405.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c1-3-22-11-10-15-16(12-22)27-19(18(15)20(24)25-4-2)21-17(23)13-26-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,21,23)/p+1