4-oxidanylidene-4-[[3-(1,3-thiazol-2-ylcarbonylamino)phenyl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[3-(1,3-thiazol-2-ylcarbonylamino)phenyl]amino]butanoate Openeye Name: 4-oxo-4-[3-(thiazole-2-carbonylamino)anilino]butanoate CAS Name: 4-oxo-4-[3-[[oxo(2-thiazolyl)methyl]amino]anilino]butanoate IUPAC Name: 4-oxo-4-[3-(1,3-thiazole-2-carbonylamino)anilino]butanoate Traditional Name: 4-keto-4-[3-(thiazole-2-carbonylamino)anilino]butyrate Formula: C14H12N3O4S- MolecularWeight: 318.32778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCC(=O)[O-])NC(=O)C2=NC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC(=O)[O-])NC(=O)C2=NC=CS2

InChI

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