S-[2-(2,2-dimethylpropanoylamino)phenyl] 2-(2-nitrophenyl)ethanethioate

Systemtic Name: S-[2-(2,2-dimethylpropanoylamino)phenyl] 2-(2-nitrophenyl)ethanethioate Openeye Name: S-[2-(2,2-dimethylpropanoylamino)phenyl] 2-(2-nitrophenyl)ethanethioate CAS Name: 2-(2-nitrophenyl)ethanethioic acid S-[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl] ester IUPAC Name: S-[2-(2,2-dimethylpropanoylamino)phenyl] 2-(2-nitrophenyl)ethanethioate Traditional Name: 2-(2-nitrophenyl)ethanethioic acid S-[2-(pivaloylamino)phenyl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SC(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SC(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4S/c1-19(2,3)18(23)20-14-9-5-7-11-16(14)26-17(22)12-13-8-4-6-10-15(13)21(24)25/h4-11H,12H2,1-3H3,(H,20,23)