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

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-(pentanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-(pentanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-(1-oxopentylamino)thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-(pentanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(valerylamino)thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)(C)C)C)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)(C)C)C)C(=O)OCC

InChI

InChI=1S/C18H27NO5S/c1-7-9-10-12(20)19-15-13(16(21)23-8-2)11(3)14(25-15)17(22)24-18(4,5)6/h7-10H2,1-6H3,(H,19,20)