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

Systemtic Name: 4-[[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]amino]methyl]benzoic acid Formula: C19H16FNO4S MolecularWeight: 373.398043

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16FNO4S/c1-25-10-13-16-14(20)3-2-4-15(16)26-17(13)18(22)21-9-11-5-7-12(8-6-11)19(23)24/h2-8H,9-10H2,1H3,(H,21,22)(H,23,24)