2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]-2-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]-2-methyl-pentanoic acid Openeye Name: 2-[[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]amino]-2-methyl-valeric acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC(=O)NC1=C(C=CS1)C#N

Isomeric SMILES

CCCC(C)(C(=O)O)NCC(=O)NC1=C(C=CS1)C#N

InChI

InChI=1S/C13H17N3O3S/c1-3-5-13(2,12(18)19)15-8-10(17)16-11-9(7-14)4-6-20-11/h4,6,15H,3,5,8H2,1-2H3,(H,16,17)(H,18,19)