2-[2-(4-ethoxyphenyl)sulfanylethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-ethoxyphenyl)sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]terephthalic acid CAS Name: 2-[[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-(p-phenetylthio)acetyl]amino]terephthalic acid Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO6S/c1-2-25-12-4-6-13(7-5-12)26-10-16(20)19-15-9-11(17(21)22)3-8-14(15)18(23)24/h3-9H,2,10H2,1H3,(H,19,20)(H,21,22)(H,23,24)