ethyl 4-isoquinolin-1-ylsulfanylpiperidine-1-carboxylate

Systemtic Name: ethyl 4-isoquinolin-1-ylsulfanylpiperidine-1-carboxylate Openeye Name: ethyl 4-(1-isoquinolylsulfanyl)piperidine-1-carboxylate CAS Name: 4-(1-isoquinolinylthio)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-isoquinolin-1-ylsulfanylpiperidine-1-carboxylate Traditional Name: 4-(1-isoquinolylthio)piperidine-1-carboxylic acid ethyl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)SC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)N1CCC(CC1)SC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H20N2O2S/c1-2-21-17(20)19-11-8-14(9-12-19)22-16-15-6-4-3-5-13(15)7-10-18-16/h3-7,10,14H,2,8-9,11-12H2,1H3