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

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-(2-phenylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-[(2-phenylacetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[(1-oxo-2-phenylethyl)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-[(2-phenylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-phenylacetyl)amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-6-26-19(24)16-13(2)17(20(25)27-21(3,4)5)28-18(16)22-15(23)12-14-10-8-7-9-11-14/h7-11H,6,12H2,1-5H3,(H,22,23)