2-[(2-bromophenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(2-bromophenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(2-bromobenzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(2-bromobenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(2-bromobenzoyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3S/c1-12(2,18)9(11(16)17)14-10(15)7-5-3-4-6-8(7)13/h3-6,9,18H,1-2H3,(H,14,15)(H,16,17)