2-[4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-oxo-2-(2-thienylmethylamino)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-keto-2-(2-thenylamino)ethyl]piperazino]acetic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=CS2)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=CS2)CC(=O)O

InChI

InChI=1S/C13H19N3O3S/c17-12(14-8-11-2-1-7-20-11)9-15-3-5-16(6-4-15)10-13(18)19/h1-2,7H,3-6,8-10H2,(H,14,17)(H,18,19)