ethyl 6-ethyl-2-(naphthalen-1-ylcarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 6-ethyl-2-(naphthalen-1-ylcarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 6-ethyl-2-(naphthalene-1-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-ethyl-2-[[1-naphthalenyl(oxo)methyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-(naphthalene-1-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-(1-naphthoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C23H25N2O3S+ MolecularWeight: 409.5212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H24N2O3S/c1-3-25-13-12-18-19(14-25)29-22(20(18)23(27)28-4-2)24-21(26)17-11-7-9-15-8-5-6-10-16(15)17/h5-11H,3-4,12-14H2,1-2H3,(H,24,26)/p+1