[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-16(17-8-3-2-4-9-17)14-23-20(25)15-27-22(26)13-7-12-21-24-18-10-5-6-11-19(18)28-21/h2-6,8-11,16H,7,12-15H2,1H3,(H,23,25)/t16-/m1/s1