ethyl 4-[4-[(2-chloranyl-5-methyl-phenoxy)methyl]thiophen-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(2-chloranyl-5-methyl-phenoxy)methyl]thiophen-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(2-chloro-5-methyl-phenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(2-chloro-5-methylphenoxy)methyl]-2-thiophenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-chloro-5-methylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(2-chloro-5-methyl-phenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-3-26-20(25)23-8-6-22(7-9-23)19(24)18-11-15(13-28-18)12-27-17-10-14(2)4-5-16(17)21/h4-5,10-11,13H,3,6-9,12H2,1-2H3