2-[2-[(3-bromophenyl)methylsulfanyl]ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-[(3-bromophenyl)methylsulfanyl]ethanoylamino]terephthalic acid Openeye Name: 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]terephthalic acid CAS Name: 2-[[2-[(3-bromophenyl)methylthio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(3-bromobenzyl)thio]acetyl]amino]terephthalic acid Formula: C17H14BrNO5S MolecularWeight: 424.26576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H14BrNO5S/c18-12-3-1-2-10(6-12)8-25-9-15(20)19-14-7-11(16(21)22)4-5-13(14)17(23)24/h1-7H,8-9H2,(H,19,20)(H,21,22)(H,23,24)