4-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]amino]butanoic acid

Systemtic Name: 4-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]amino]butanoic acid Openeye Name: 4-[[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]amino]butanoic acid CAS Name: 4-[[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]amino]butanoic acid IUPAC Name: 4-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]amino]butanoic acid Traditional Name: 4-[[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]amino]butyric acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1C#N)NC(=O)CCNCCCC(=O)O

Isomeric SMILES

C1=CSC(=C1C#N)NC(=O)CCNCCCC(=O)O

InChI

InChI=1S/C12H15N3O3S/c13-8-9-4-7-19-12(9)15-10(16)3-6-14-5-1-2-11(17)18/h4,7,14H,1-3,5-6H2,(H,15,16)(H,17,18)