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

Systemtic Name: 2-[[4-butyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-[(4-butyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(2-thienyl)acetic acid CAS Name: 2-[[(4-butyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-2-thiophen-2-ylacetic acid IUPAC Name: 2-[(4-butyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid Traditional Name: 2-[(4-butyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-(2-thienyl)acetic acid Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CS2)C(=O)O

Isomeric SMILES

CCCCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CS2)C(=O)O

InChI

InChI=1S/C15H19N3O5S/c1-2-3-6-17-7-8-18(13(20)12(17)19)15(23)16-11(14(21)22)10-5-4-9-24-10/h4-5,9,11H,2-3,6-8H2,1H3,(H,16,23)(H,21,22)