ethyl 1-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(3-chloro-6-methoxy-benzothiophene-2-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(3-chloro-6-methoxy-1-benzothiophen-2-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-chloro-6-methoxy-benzothiophene-2-carbonyl)nipecotic acid ethyl ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C18H20ClNO4S/c1-3-24-18(22)11-5-4-8-20(10-11)17(21)16-15(19)13-7-6-12(23-2)9-14(13)25-16/h6-7,9,11H,3-5,8,10H2,1-2H3