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

Systemtic Name: 4-[2-[(2-chlorophenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 4-[[2-[(2-chlorophenyl)methylthio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 4-[[2-[(2-chlorobenzyl)thio]acetyl]amino]isophthalic acid Formula: C17H14ClNO5S MolecularWeight: 379.81476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO5S/c18-13-4-2-1-3-11(13)8-25-9-15(20)19-14-6-5-10(16(21)22)7-12(14)17(23)24/h1-7H,8-9H2,(H,19,20)(H,21,22)(H,23,24)