ethanedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-thiophen-3-ylpropanoate

Systemtic Name: ethanedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-thiophen-3-ylpropanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-thienyl)propanoate; oxalate CAS Name: oxalate; 2-(3-thiophenyl)propanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-thiophen-3-ylpropanoate; oxalate Traditional Name: oxalate; 2-(3-thienyl)propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C17H21NO6S-2 MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC=C1)C(=O)OC2CC3CCC(C2)N3C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(C1=CSC=C1)C(=O)OC2CC3CCC(C2)N3C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C15H21NO2S.C2H2O4/c1-10(11-5-6-19-9-11)15(17)18-14-7-12-3-4-13(8-14)16(12)2;3-1(4)2(5)6/h5-6,9-10,12-14H,3-4,7-8H2,1-2H3;(H,3,4)(H,5,6)/p-2