ethanedioic acid; (2S,3R,5S,6R)-2-(furan-2-yl)-3,5-dimethyl-6-thiophen-2-yl-piperidin-4-one

Systemtic Name: ethanedioic acid; (2S,3R,5S,6R)-2-(furan-2-yl)-3,5-dimethyl-6-thiophen-2-yl-piperidin-4-one Openeye Name: (2S,3R,5S,6R)-2-(2-furyl)-3,5-dimethyl-6-(2-thienyl)piperidin-4-one; oxalic acid CAS Name: (2S,3R,5S,6R)-2-(2-furanyl)-3,5-dimethyl-6-thiophen-2-yl-4-piperidinone; oxalic acid IUPAC Name: (2S,3R,5S,6R)-2-(furan-2-yl)-3,5-dimethyl-6-thiophen-2-ylpiperidin-4-one; oxalic acid Traditional Name: (2S,3R,5S,6R)-2-(2-furyl)-3,5-dimethyl-6-(2-thienyl)-4-piperidone; oxalic acid Formula: C17H19NO6S MolecularWeight: 365.40086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(C(C1=O)C)C2=CC=CS2)C3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

C[C@@H]1[C@H](N[C@H]([C@@H](C1=O)C)C2=CC=CS2)C3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17NO2S.C2H2O4/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12;3-1(4)2(5)6/h3-10,13-14,16H,1-2H3;(H,3,4)(H,5,6)/t9-,10+,13+,14-;/m1./s1