[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C18H22FNO4S MolecularWeight: 367.434983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)COC

InChI

InChI=1S/C18H22FNO4S/c1-4-6-11(2)20-15(21)10-24-18(22)17-12(9-23-3)16-13(19)7-5-8-14(16)25-17/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,20,21)/t11-/m0/s1