[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C20H24FNO4S MolecularWeight: 393.472263

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC(=O)NC3CCCCCC3

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC(=O)NC3CCCCCC3

InChI

InChI=1S/C20H24FNO4S/c1-25-11-14-18-15(21)9-6-10-16(18)27-19(14)20(24)26-12-17(23)22-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H,22,23)