4-(3-bromophenyl)-2-ethylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-bromophenyl)-2-ethylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-bromophenyl)-2-ethylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3-bromophenyl)-2-(ethylthio)-4-oxobutanoic acid IUPAC Name: 4-(3-bromophenyl)-2-ethylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(3-bromophenyl)-2-(ethylthio)-4-keto-butyric acid Formula: C12H13BrO3S MolecularWeight: 317.19882

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC(=O)C1=CC(=CC=C1)Br)C(=O)O

Isomeric SMILES

CCSC(CC(=O)C1=CC(=CC=C1)Br)C(=O)O

InChI

InChI=1S/C12H13BrO3S/c1-2-17-11(12(15)16)7-10(14)8-4-3-5-9(13)6-8/h3-6,11H,2,7H2,1H3,(H,15,16)