2-azanyl-3-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]thio]propionic acid Formula: C12H15BrN2O3S MolecularWeight: 347.2281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O3S/c1-7-2-3-10(8(13)4-7)15-11(16)6-19-5-9(14)12(17)18/h2-4,9H,5-6,14H2,1H3,(H,15,16)(H,17,18)