2-[[4-octyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-thiophen-2-yl-ethanoic acid

Systemtic Name: 2-[[4-octyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-[(4-octyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(2-thienyl)acetic acid CAS Name: 2-[[(4-octyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-2-thiophen-2-ylacetic acid IUPAC Name: 2-[(4-octyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid Traditional Name: 2-[(2,3-diketo-4-octyl-piperazine-1-carbonyl)amino]-2-(2-thienyl)acetic acid Formula: C19H27N3O5S MolecularWeight: 409.49978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CS2)C(=O)O

Isomeric SMILES

CCCCCCCCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CS2)C(=O)O

InChI

InChI=1S/C19H27N3O5S/c1-2-3-4-5-6-7-10-21-11-12-22(17(24)16(21)23)19(27)20-15(18(25)26)14-9-8-13-28-14/h8-9,13,15H,2-7,10-12H2,1H3,(H,20,27)(H,25,26)