[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)CSC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)CSC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S2/c1-14(15-7-3-2-4-8-15)11-21-18(23)12-25-19(24)13-26-20-22-16-9-5-6-10-17(16)27-20/h2-10,14H,11-13H2,1H3,(H,21,23)/t14-/m1/s1