2-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]thio]acetic acid Formula: C11H12BrNO3S MolecularWeight: 318.18688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)O)Br

InChI

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