[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate CAS Name: (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoate Traditional Name: (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propionic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C(C)(CC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)COC(=O)[C@@](C)(CC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-15(2)23-19(25)14-27-21(26)22(3,16-9-5-4-6-10-16)13-20-24-17-11-7-8-12-18(17)28-20/h4-12,15H,13-14H2,1-3H3,(H,23,25)/t22-/m0/s1