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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H18FNO4S MolecularWeight: 339.381823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)COC

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)COC

InChI

InChI=1S/C16H18FNO4S/c1-9(2)18-13(19)8-22-16(20)15-10(7-21-3)14-11(17)5-4-6-12(14)23-15/h4-6,9H,7-8H2,1-3H3,(H,18,19)