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

Systemtic Name: ethyl 4-[4-[(2,5-dimethylphenoxy)methyl]thiophen-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(2,5-dimethylphenoxy)methyl]-2-thiophenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CS2)COC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CS2)COC3=C(C=CC(=C3)C)C

InChI

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