ethyl 6-(phenylmethyl)-2-[[2,3,4,5-tetrakis(fluoranyl)phenyl]carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 6-(phenylmethyl)-2-[[2,3,4,5-tetrakis(fluoranyl)phenyl]carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 6-benzyl-2-[(2,3,4,5-tetrafluorobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[oxo-(2,3,4,5-tetrafluorophenyl)methyl]amino]-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-[(2,3,4,5-tetrafluorobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-benzyl-2-[(2,3,4,5-tetrafluorobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C24H21F4N2O3S+ MolecularWeight: 493.493753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)CC3=CC=CC=C3)NC(=O)C4=CC(=C(C(=C4F)F)F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)CC3=CC=CC=C3)NC(=O)C4=CC(=C(C(=C4F)F)F)F

InChI

InChI=1S/C24H20F4N2O3S/c1-2-33-24(32)18-14-8-9-30(11-13-6-4-3-5-7-13)12-17(14)34-23(18)29-22(31)15-10-16(25)20(27)21(28)19(15)26/h3-7,10H,2,8-9,11-12H2,1H3,(H,29,31)/p+1