[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic 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-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C)OC

InChI

InChI=1S/C22H27NO6S/c1-6-28-17-9-7-14(11-18(17)27-5)20(25)29-13-16(24)19-10-8-15(30-19)12-23-21(26)22(2,3)4/h7-11H,6,12-13H2,1-5H3,(H,23,26)