2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]piperazino]acetic acid Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=C(C=CS2)C#N)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=C(C=CS2)C#N)CC(=O)O

InChI

InChI=1S/C13H16N4O3S/c14-7-10-1-6-21-13(10)15-11(18)8-16-2-4-17(5-3-16)9-12(19)20/h1,6H,2-5,8-9H2,(H,15,18)(H,19,20)