5-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[(3,4-dichlorophenyl)methylthio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[(3,4-dichlorobenzyl)thio]acetyl]amino]isophthalic acid Formula: C17H13Cl2NO5S MolecularWeight: 414.25982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl)Cl

InChI

InChI=1S/C17H13Cl2NO5S/c18-13-2-1-9(3-14(13)19)7-26-8-15(21)20-12-5-10(16(22)23)4-11(6-12)17(24)25/h1-6H,7-8H2,(H,20,21)(H,22,23)(H,24,25)