1,3-benzothiazol-2-ylmethyl 3,5-ditert-butylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3,5-ditert-butylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO2S/c1-22(2,3)16-11-15(12-17(13-16)23(4,5)6)21(25)26-14-20-24-18-9-7-8-10-19(18)27-20/h7-13H,14H2,1-6H3