2-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]amino]-3-methyl-butyric acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCCC(=O)NC1=C(C=CS1)C#N

Isomeric SMILES

CC(C)C(C(=O)O)NCCC(=O)NC1=C(C=CS1)C#N

InChI

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