1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-14(2)20(23-18(24)12-15-8-4-3-5-9-15)21(25)26-13-19-22-16-10-6-7-11-17(16)27-19/h3-11,14,20H,12-13H2,1-2H3,(H,23,24)/t20-/m0/s1