2-azanyl-3-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl]thio]propionic acid Formula: C12H14Br2N2O3S MolecularWeight: 426.12416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14Br2N2O3S/c1-6-2-7(13)11(8(14)3-6)16-10(17)5-20-4-9(15)12(18)19/h2-3,9H,4-5,15H2,1H3,(H,16,17)(H,18,19)