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

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic 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-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C

InChI

InChI=1S/C22H27NO5S/c1-5-12-27-16-8-6-15(7-9-16)20(25)28-14-18(24)19-11-10-17(29-19)13-23-21(26)22(2,3)4/h6-11H,5,12-14H2,1-4H3,(H,23,26)