[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)OC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C21H20FNO5S/c1-12(20(24)23-15-8-4-5-9-16(15)27-3)28-21(25)19-13(11-26-2)18-14(22)7-6-10-17(18)29-19/h4-10,12H,11H2,1-3H3,(H,23,24)/t12-/m1/s1