[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC(=O)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H20FNO4S/c1-27-11-16-20-17(23)6-3-7-18(20)29-21(16)22(26)28-12-19(25)24-15-9-8-13-4-2-5-14(13)10-15/h3,6-10H,2,4-5,11-12H2,1H3,(H,24,25)