[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=CC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S/c1-14(16-8-4-3-5-9-16)13-22-20(23)15(2)25-21(24)19-12-17-10-6-7-11-18(17)26-19/h3-12,14-15H,13H2,1-2H3,(H,22,23)/t14-,15+/m1/s1