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

Systemtic Name: O4-ethyl O2-propan-2-yl 3-methyl-5-(4-phenoxybutanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 3-methyl-5-(4-phenoxybutanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[(1-oxo-4-phenoxybutyl)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-(4-phenoxybutanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(4-phenoxybutanoylamino)thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C22H27NO6S/c1-5-27-21(25)18-15(4)19(22(26)29-14(2)3)30-20(18)23-17(24)12-9-13-28-16-10-7-6-8-11-16/h6-8,10-11,14H,5,9,12-13H2,1-4H3,(H,23,24)