3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(3-bromoanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(3-bromoanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(3-bromoanilino)-2-keto-ethyl]thio]propionic acid Formula: C11H12BrNO3S MolecularWeight: 318.18688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CSCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C11H12BrNO3S/c12-8-2-1-3-9(6-8)13-10(14)7-17-5-4-11(15)16/h1-3,6H,4-5,7H2,(H,13,14)(H,15,16)