S-[2-(2,2-dimethylpropanoylamino)-4-nitro-phenyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[2-(2,2-dimethylpropanoylamino)-4-nitro-phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-(2,2-dimethylpropanoylamino)-4-nitro-phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-nitrophenyl] ester IUPAC Name: S-[2-(2,2-dimethylpropanoylamino)-4-nitrophenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[4-nitro-2-(pivaloylamino)phenyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])SC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])SC(=O)C(C)(C)C

InChI

InChI=1S/C16H22N2O4S/c1-15(2,3)13(19)17-11-9-10(18(21)22)7-8-12(11)23-14(20)16(4,5)6/h7-9H,1-6H3,(H,17,19)