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

Systemtic Name: 2-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thio]acetate Formula: C11H11BrNO3S- MolecularWeight: 317.17894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSCC(=O)[O-]

InChI

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