(2S,5S)-5-ethyl-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-2,5-dihydropyrrole-3-carboxylic acid

Systemtic Name: (2S,5S)-5-ethyl-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2S,5S)-5-ethyl-1-(p-tolylsulfonyl)-2-(2-thienyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2S,5S)-5-ethyl-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2S,5S)-5-ethyl-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2S,5S)-5-ethyl-2-(2-thienyl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C18H19NO4S2 MolecularWeight: 377.47776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CS3)C(=O)O

Isomeric SMILES

CC[C@H]1C=C([C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H19NO4S2/c1-3-13-11-15(18(20)21)17(16-5-4-10-24-16)19(13)25(22,23)14-8-6-12(2)7-9-14/h4-11,13,17H,3H2,1-2H3,(H,20,21)/t13-,17-/m0/s1