ethyl 4-[4-[(2,3,5-trimethylphenoxy)methyl]thiophen-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(2,3,5-trimethylphenoxy)methyl]thiophen-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[(2,3,5-trimethylphenoxy)methyl]-2-thiophenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CS2)COC3=CC(=CC(=C3C)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CS2)COC3=CC(=CC(=C3C)C)C

InChI

InChI=1S/C22H28N2O4S/c1-5-27-22(26)24-8-6-23(7-9-24)21(25)20-12-18(14-29-20)13-28-19-11-15(2)10-16(3)17(19)4/h10-12,14H,5-9,13H2,1-4H3