(2R,3S)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: (2R,3S)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: (2R,3S)-5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: (2R,3S)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxylate IUPAC Name: (2R,3S)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: (2R,3S)-5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylate Formula: C16H14NO3S- MolecularWeight: 300.35226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@H](CC2=O)C(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C16H15NO3S/c1-10-4-6-11(7-5-10)17-14(18)9-12(16(19)20)15(17)13-3-2-8-21-13/h2-8,12,15H,9H2,1H3,(H,19,20)/p-1/t12-,15+/m0/s1