ethyl 4-[1-[(5-chloranylthiophen-2-yl)methyl]-6-fluoranyl-indol-3-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(5-chloranylthiophen-2-yl)methyl]-6-fluoranyl-indol-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-[(5-chloro-2-thienyl)methyl]-6-fluoro-indol-3-yl]piperidine-1-carboxylate CAS Name: 4-[1-[(5-chloro-2-thiophenyl)methyl]-6-fluoro-3-indolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(5-chlorothiophen-2-yl)methyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[1-[(5-chloro-2-thienyl)methyl]-6-fluoro-indol-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H22ClFN2O2S MolecularWeight: 420.927983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC(=C3)F)CC4=CC=C(S4)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC(=C3)F)CC4=CC=C(S4)Cl

InChI

InChI=1S/C21H22ClFN2O2S/c1-2-27-21(26)24-9-7-14(8-10-24)18-13-25(12-16-4-6-20(22)28-16)19-11-15(23)3-5-17(18)19/h3-6,11,13-14H,2,7-10,12H2,1H3