[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]amino]ethyl] ester Formula: C17H19FN2O4S MolecularWeight: 366.407163

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC(=O)C1=CC2=C(C=CC=C2S1)F

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC2=C(C=CC=C2S1)F

InChI

InChI=1S/C17H19FN2O4S/c1-3-7-19-16(22)10(2)20-15(21)9-24-17(23)14-8-11-12(18)5-4-6-13(11)25-14/h4-6,8,10H,3,7,9H2,1-2H3,(H,19,22)(H,20,21)/t10-/m0/s1