[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-benzamidobutanoate

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-benzamidobutanoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic 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] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)C1=CC=C(S1)CNC(=O)C(C)(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OCC(=O)C1=CC=C(S1)CNC(=O)C(C)(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5S/c1-15(25-21(28)16-8-6-5-7-9-16)12-20(27)30-14-18(26)19-11-10-17(31-19)13-24-22(29)23(2,3)4/h5-11,15H,12-14H2,1-4H3,(H,24,29)(H,25,28)