2-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)CSCC(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)CSCC(=O)O

InChI

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