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

Systemtic Name: 2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(3-methylbenzyl)thio]acetyl]amino]terephthalic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO5S/c1-11-3-2-4-12(7-11)9-25-10-16(20)19-15-8-13(17(21)22)5-6-14(15)18(23)24/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)(H,23,24)