2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-bromobenzoyl)amino]-4-(methylthio)butyric acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C12H14BrNO3S/c1-18-7-6-10(12(16)17)14-11(15)8-4-2-3-5-9(8)13/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)