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

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C

InChI

InChI=1S/C21H25NO4S/c1-5-14-6-8-15(9-7-14)19(24)26-13-17(23)18-11-10-16(27-18)12-22-20(25)21(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,22,25)