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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate Openeye Name: [2-(1,1-dimethylpropylamino)-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-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] (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-(tert-amylamino)-2-keto-ethyl] ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3S/c1-5-23(2,3)26-20(27)16-29-22(28)24(4,17-11-7-6-8-12-17)15-21-25-18-13-9-10-14-19(18)30-21/h6-14H,5,15-16H2,1-4H3,(H,26,27)/t24-/m0/s1