S-[2-(2,2-dimethylpropanoylamino)phenyl] 4-phenylbutanethioate

Systemtic Name: S-[2-(2,2-dimethylpropanoylamino)phenyl] 4-phenylbutanethioate Openeye Name: S-[2-(2,2-dimethylpropanoylamino)phenyl] 4-phenylbutanethioate CAS Name: 4-phenylbutanethioic acid S-[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl] ester IUPAC Name: S-[2-(2,2-dimethylpropanoylamino)phenyl] 4-phenylbutanethioate Traditional Name: 4-phenylbutanethioic acid S-[2-(pivaloylamino)phenyl] ester Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO2S/c1-21(2,3)20(24)22-17-13-7-8-14-18(17)25-19(23)15-9-12-16-10-5-4-6-11-16/h4-8,10-11,13-14H,9,12,15H2,1-3H3,(H,22,24)