2-[4-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-keto-2-[methyl(2-thenyl)amino]ethyl]piperazino]acetic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)CN2CCN(CC2)CC(=O)O

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)CN2CCN(CC2)CC(=O)O

InChI

InChI=1S/C14H21N3O3S/c1-15(9-12-3-2-8-21-12)13(18)10-16-4-6-17(7-5-16)11-14(19)20/h2-3,8H,4-7,9-11H2,1H3,(H,19,20)