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

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-(2-phenoxybutanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-(2-phenoxybutanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[(1-oxo-2-phenoxybutyl)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-phenoxybutanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(2-phenoxybutanoylamino)thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OC(C)(C)C)C)C(=O)OCC)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OC(C)(C)C)C)C(=O)OCC)OC2=CC=CC=C2

InChI

InChI=1S/C23H29NO6S/c1-7-16(29-15-12-10-9-11-13-15)19(25)24-20-17(21(26)28-8-2)14(3)18(31-20)22(27)30-23(4,5)6/h9-13,16H,7-8H2,1-6H3,(H,24,25)