1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-14(23-20(25)15-9-11-16(12-10-15)22(2,3)4)21(26)27-13-19-24-17-7-5-6-8-18(17)28-19/h5-12,14H,13H2,1-4H3,(H,23,25)/t14-/m0/s1