2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]terephthalic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]terephthalic acid Formula: C17H14BrNO5S MolecularWeight: 424.26576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H14BrNO5S/c1-9-6-11(18)3-5-14(9)25-8-15(20)19-13-7-10(16(21)22)2-4-12(13)17(23)24/h2-7H,8H2,1H3,(H,19,20)(H,21,22)(H,23,24)