ethyl 1-[4-[(4-chloranyl-3-methyl-phenoxy)methyl]thiophen-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[(4-chloranyl-3-methyl-phenoxy)methyl]thiophen-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(4-chloro-3-methyl-phenoxy)methyl]thiophene-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[4-[(4-chloro-3-methylphenoxy)methyl]-2-thiophenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(4-chloro-3-methyl-phenoxy)methyl]thiophene-2-carbonyl]nipecotic acid ethyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CS2)COC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CS2)COC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C21H24ClNO4S/c1-3-26-21(25)16-5-4-8-23(11-16)20(24)19-10-15(13-28-19)12-27-17-6-7-18(22)14(2)9-17/h6-7,9-10,13,16H,3-5,8,11-12H2,1-2H3