2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]terephthalic acid

Systemtic Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]terephthalic acid Openeye Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]terephthalic acid CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]terephthalic acid Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoylamino]terephthalic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-11-3-5-14(9-12(11)2)26-8-7-17(21)20-16-10-13(18(22)23)4-6-15(16)19(24)25/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)