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

Systemtic Name: 2-[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl]thio]acetic acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CSCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)CSCC(=O)O

InChI

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