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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O3S/c1-7-4-8(13)2-3-10(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)