4-oxidanylidene-4-[[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[2-(thiazol-2-ylcarbamoyl)anilino]butanoic acid CAS Name: 4-oxo-4-[2-[oxo-(2-thiazolylamino)methyl]anilino]butanoic acid IUPAC Name: 4-oxo-4-[2-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid Traditional Name: 4-keto-4-[2-(thiazol-2-ylcarbamoyl)anilino]butyric acid Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC=CS2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC=CS2)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H13N3O4S/c18-11(5-6-12(19)20)16-10-4-2-1-3-9(10)13(21)17-14-15-7-8-22-14/h1-4,7-8H,5-6H2,(H,16,18)(H,19,20)(H,15,17,21)