(2S)-2-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2S)-2-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2S)-2-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2S)-2-[[2-(3-bromoanilino)-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-[2-(3-bromoanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-(3-bromoanilino)-2-keto-ethyl]thio]propionate Formula: C11H11BrNO3S- MolecularWeight: 317.17894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC(=O)NC1=CC(=CC=C1)Br

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC(=O)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C11H12BrNO3S/c1-7(11(15)16)17-6-10(14)13-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/p-1/t7-/m0/s1