ethyl 4-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(2,6-dimethylphenoxy)methyl]-2-thiophenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-4-26-21(25)23-10-8-22(9-11-23)20(24)18-12-17(14-28-18)13-27-19-15(2)6-5-7-16(19)3/h5-7,12,14H,4,8-11,13H2,1-3H3