S-[5-(4-chlorophenyl)-2-(diphenylmethyl)-4,4-dimethyl-1,3-oxazol-5-yl] ethanethioate

Systemtic Name: S-[5-(4-chlorophenyl)-2-(diphenylmethyl)-4,4-dimethyl-1,3-oxazol-5-yl] ethanethioate Openeye Name: S-[2-benzhydryl-5-(4-chlorophenyl)-4,4-dimethyl-oxazol-5-yl] ethanethioate CAS Name: ethanethioic acid S-[5-(4-chlorophenyl)-2-(diphenylmethyl)-4,4-dimethyl-5-oxazolyl] ester IUPAC Name: S-[2-benzhydryl-5-(4-chlorophenyl)-4,4-dimethyl-1,3-oxazol-5-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-benzhydryl-5-(4-chlorophenyl)-4,4-dimethyl-2-oxazolin-5-yl] ester Formula: C26H24ClNO2S MolecularWeight: 449.99226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1(C(N=C(O1)C(C2=CC=CC=C2)C3=CC=CC=C3)(C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)SC1(C(N=C(O1)C(C2=CC=CC=C2)C3=CC=CC=C3)(C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H24ClNO2S/c1-18(29)31-26(21-14-16-22(27)17-15-21)25(2,3)28-24(30-26)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,23H,1-3H3