(4-tert-butylphenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: (4-tert-butylphenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate Openeye Name: (4-tert-butylphenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzothiazol-3-yl)propionic acid (4-tert-butylphenyl) ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)CCN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)CCN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C20H21NO3S/c1-20(2,3)14-8-10-15(11-9-14)24-18(22)12-13-21-16-6-4-5-7-17(16)25-19(21)23/h4-11H,12-13H2,1-3H3