[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

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