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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(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)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

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