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

Systemtic Name: 2-[2-(4-methoxyphenyl)sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]terephthalic acid CAS Name: 2-[[2-[(4-methoxyphenyl)thio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(4-methoxyphenyl)thio]acetyl]amino]terephthalic acid Formula: C17H15NO6S MolecularWeight: 361.3691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H15NO6S/c1-24-11-3-5-12(6-4-11)25-9-15(19)18-14-8-10(16(20)21)2-7-13(14)17(22)23/h2-8H,9H2,1H3,(H,18,19)(H,20,21)(H,22,23)