[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-13(14-5-3-2-4-6-14)10-20-18(22)11-24-19(23)15-7-8-16-17(9-15)25-12-21-16/h2-9,12-13H,10-11H2,1H3,(H,20,22)/t13-/m1/s1