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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-15(16-7-3-2-4-8-16)13-22-19(24)14-26-21(25)12-11-20-23-17-9-5-6-10-18(17)27-20/h2-10,15H,11-14H2,1H3,(H,22,24)/t15-/m1/s1