4-(4-bromophenyl)-4-oxidanylidene-2-(propanoylsulfanylmethyl)butanoic acid

Systemtic Name: 4-(4-bromophenyl)-4-oxidanylidene-2-(propanoylsulfanylmethyl)butanoic acid Openeye Name: 4-(4-bromophenyl)-4-oxo-2-(propanoylsulfanylmethyl)butanoic acid CAS Name: 4-(4-bromophenyl)-4-oxo-2-[(1-oxopropylthio)methyl]butanoic acid IUPAC Name: 4-(4-bromophenyl)-4-oxo-2-(propanoylsulfanylmethyl)butanoic acid Traditional Name: 4-(4-bromophenyl)-4-keto-2-[(propionylthio)methyl]butyric acid Formula: C14H15BrO4S MolecularWeight: 359.2355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(CC(=O)C1=CC=C(C=C1)Br)C(=O)O

Isomeric SMILES

CCC(=O)SCC(CC(=O)C1=CC=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C14H15BrO4S/c1-2-13(17)20-8-10(14(18)19)7-12(16)9-3-5-11(15)6-4-9/h3-6,10H,2,7-8H2,1H3,(H,18,19)