O2-tert-butyl O4-ethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[(1-oxo-3-phenylpropyl)amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(hydrocinnamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-6-27-20(25)17-14(2)18(21(26)28-22(3,4)5)29-19(17)23-16(24)13-12-15-10-8-7-9-11-15/h7-11H,6,12-13H2,1-5H3,(H,23,24)