methyl 4-(3-chloranylisoquinolin-1-yl)sulfanylcyclohexane-1-carboxylate

Systemtic Name: methyl 4-(3-chloranylisoquinolin-1-yl)sulfanylcyclohexane-1-carboxylate Openeye Name: methyl 4-[(3-chloro-1-isoquinolyl)sulfanyl]cyclohexanecarboxylate CAS Name: 4-[(3-chloro-1-isoquinolinyl)thio]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chloroisoquinolin-1-yl)sulfanylcyclohexane-1-carboxylate Traditional Name: 4-[(3-chloro-1-isoquinolyl)thio]cyclohexanecarboxylic acid methyl ester Formula: C17H18ClNO2S MolecularWeight: 335.84832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)SC2=NC(=CC3=CC=CC=C32)Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)SC2=NC(=CC3=CC=CC=C32)Cl

InChI

InChI=1S/C17H18ClNO2S/c1-21-17(20)11-6-8-13(9-7-11)22-16-14-5-3-2-4-12(14)10-15(18)19-16/h2-5,10-11,13H,6-9H2,1H3