3-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]thio]propionic acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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