ethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(3-chlorobenzothiophene-2-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-chlorobenzothiophene-2-carbonyl)nipecotic acid ethyl ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H18ClNO3S/c1-2-22-17(21)11-6-5-9-19(10-11)16(20)15-14(18)12-7-3-4-8-13(12)23-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3