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

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic 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] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C

InChI

InChI=1S/C22H27NO4S/c1-5-17(15-9-7-6-8-10-15)20(25)27-14-18(24)19-12-11-16(28-19)13-23-21(26)22(2,3)4/h6-12,17H,5,13-14H2,1-4H3,(H,23,26)