O4-ethyl O2-propan-2-yl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[(1-oxo-3-phenylpropyl)amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(hydrocinnamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl 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)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-5-26-20(24)17-14(4)18(21(25)27-13(2)3)28-19(17)22-16(23)12-11-15-9-7-6-8-10-15/h6-10,13H,5,11-12H2,1-4H3,(H,22,23)