5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-3-cyano-2-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-3-cyano-2-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(4-bromophenyl)thiazol-4-yl]-3-cyano-2-oxo-pentanoic acid CAS Name: 5-[2-(4-bromophenyl)-4-thiazolyl]-3-cyano-2-oxopentanoic acid IUPAC Name: 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-3-cyano-2-oxopentanoic acid Traditional Name: 5-[2-(4-bromophenyl)thiazol-4-yl]-3-cyano-2-keto-valeric acid Formula: C15H11BrN2O3S MolecularWeight: 379.22844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=CS2)CCC(C#N)C(=O)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=CS2)CCC(C#N)C(=O)C(=O)O)Br

InChI

InChI=1S/C15H11BrN2O3S/c16-11-4-1-9(2-5-11)14-18-12(8-22-14)6-3-10(7-17)13(19)15(20)21/h1-2,4-5,8,10H,3,6H2,(H,20,21)