2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]terephthalic acid Formula: C18H15NO7S MolecularWeight: 389.3792

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO7S/c20-16(9-27-11-2-4-14-15(8-11)26-6-5-25-14)19-13-7-10(17(21)22)1-3-12(13)18(23)24/h1-4,7-8H,5-6,9H2,(H,19,20)(H,21,22)(H,23,24)