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

Systemtic Name: ethyl 4-fluoranyl-3-[[methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[[2-(isopropylamino)-2-oxo-ethyl]-methyl-amino]methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[[2-(isopropylamino)-2-keto-ethyl]-methyl-amino]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C18H23FN2O3S MolecularWeight: 366.450223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN(C)CC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN(C)CC(=O)NC(C)C

InChI

InChI=1S/C18H23FN2O3S/c1-5-24-18(23)17-12(9-21(4)10-15(22)20-11(2)3)16-13(19)7-6-8-14(16)25-17/h6-8,11H,5,9-10H2,1-4H3,(H,20,22)