2-[3-(4-methylphenyl)sulfanylpropanoylamino]terephthalic acid

Systemtic Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]terephthalic acid Openeye Name: 2-[3-(p-tolylsulfanyl)propanoylamino]terephthalic acid CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]terephthalic acid Traditional Name: 2-[3-(p-tolylthio)propanoylamino]terephthalic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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