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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c1-3-10-22-11-9-15-16(12-22)27-19(18(15)20(24)25-2)21-17(23)13-26-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,21,23)/p+1