[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[5-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C20H23NO6S2 MolecularWeight: 437.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H23NO6S2/c1-20(2,3)19(24)21-11-14-7-10-17(28-14)16(22)12-27-18(23)13-5-8-15(9-6-13)29(4,25)26/h5-10H,11-12H2,1-4H3,(H,21,24)