2-[2-azanyl-1-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-azanyl-1-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-amino-1-(4-bromophenyl)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-amino-1-(4-bromophenyl)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-amino-1-(4-bromophenyl)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-amino-1-(4-bromophenyl)-2-keto-ethyl]thio]acetic acid Formula: C10H10BrNO3S MolecularWeight: 304.1603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=O)N)SCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C(C(=O)N)SCC(=O)O)Br

InChI

InChI=1S/C10H10BrNO3S/c11-7-3-1-6(2-4-7)9(10(12)15)16-5-8(13)14/h1-4,9H,5H2,(H2,12,15)(H,13,14)