2-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]amino]terephthalic acid CAS Name: 2-[[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]terephthalic acid Traditional Name: 2-[[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]amino]terephthalic acid Formula: C19H14FNO6S MolecularWeight: 403.380963

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H14FNO6S/c1-27-8-11-15-12(20)3-2-4-14(15)28-16(11)17(22)21-13-7-9(18(23)24)5-6-10(13)19(25)26/h2-7H,8H2,1H3,(H,21,22)(H,23,24)(H,25,26)