S-(1,3-benzoxazol-2-ylmethyl) 2,2,4-trimethylquinoline-1-carbothioate

Systemtic Name: S-(1,3-benzoxazol-2-ylmethyl) 2,2,4-trimethylquinoline-1-carbothioate Openeye Name: S-(1,3-benzoxazol-2-ylmethyl) 2,2,4-trimethylquinoline-1-carbothioate CAS Name: 2,2,4-trimethyl-1-quinolinecarbothioic acid S-(1,3-benzoxazol-2-ylmethyl) ester IUPAC Name: S-(1,3-benzoxazol-2-ylmethyl) 2,2,4-trimethylquinoline-1-carbothioate Traditional Name: 2,2,4-trimethylquinoline-1-carbothioic acid S-(1,3-benzoxazol-2-ylmethyl) ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC=CC=C12)C(=O)SCC3=NC4=CC=CC=C4O3)(C)C

Isomeric SMILES

CC1=CC(N(C2=CC=CC=C12)C(=O)SCC3=NC4=CC=CC=C4O3)(C)C

InChI

InChI=1S/C21H20N2O2S/c1-14-12-21(2,3)23(17-10-6-4-8-15(14)17)20(24)26-13-19-22-16-9-5-7-11-18(16)25-19/h4-12H,13H2,1-3H3