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

Systemtic Name: ethyl 1-[4-[(2-chloranyl-5-methyl-phenoxy)methyl]thiophen-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(2-chloro-5-methyl-phenoxy)methyl]thiophene-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(2-chloro-5-methylphenoxy)methyl]-2-thiophenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(2-chloro-5-methylphenoxy)methyl]thiophene-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(2-chloro-5-methyl-phenoxy)methyl]thiophene-2-carbonyl]isonipecotic acid ethyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CS2)COC3=C(C=CC(=C3)C)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CS2)COC3=C(C=CC(=C3)C)Cl

InChI

InChI=1S/C21H24ClNO4S/c1-3-26-21(25)16-6-8-23(9-7-16)20(24)19-11-15(13-28-19)12-27-18-10-14(2)4-5-17(18)22/h4-5,10-11,13,16H,3,6-9,12H2,1-2H3