[(2S)-1-oxidanylidene-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C20H17ClFNO3S MolecularWeight: 405.870283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C20H17ClFNO3S/c1-11(13-6-4-3-5-7-13)23-19(24)12(2)26-20(25)18-17(21)15-9-8-14(22)10-16(15)27-18/h3-12H,1-2H3,(H,23,24)/t11-,12+/m1/s1