[2-(1,3-benzothiazol-2-ylmethyl)-3,5,6-trimethyl-4-oxidanyl-phenyl] benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylmethyl)-3,5,6-trimethyl-4-oxidanyl-phenyl] benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethyl-phenyl] benzoate CAS Name: benzoic acid [2-(1,3-benzothiazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethylphenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethylphenyl] benzoate Traditional Name: benzoic acid [2-(1,3-benzothiazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethyl-phenyl] ester Formula: C24H21NO3S MolecularWeight: 403.49344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)C)CC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)C)CC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H21NO3S/c1-14-15(2)23(28-24(27)17-9-5-4-6-10-17)18(16(3)22(14)26)13-21-25-19-11-7-8-12-20(19)29-21/h4-12,26H,13H2,1-3H3