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ethyl 5-cyano-8-cyclopentyl-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

ethyl 5-cyano-8-cyclopentyl-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name:ethyl 5-cyano-8-cyclopentyl-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Openeye Name:ethyl 5-cyano-8-cyclopentyl-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CAS Name:5-cyano-8-cyclopentyl-6-(methylthio)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester
IUPAC Name:ethyl 5-cyano-8-cyclopentyl-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Traditional Name:5-cyano-8-cyclopentyl-6-(methylthio)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester
Formula: C19H19N2O2S
MolecularWeight: 339.43136
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)C(=CC(=C2C#N)SC)[C]3[CH][CH][CH][CH]3


Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)C(=CC(=C2C#N)SC)[C]3[CH][CH][CH][CH]3


InChI

InChI=1S/C19H19N2O2S/c1-3-23-19(22)21-9-8-14-16(11-20)18(24-2)10-15(17(14)12-21)13-6-4-5-7-13/h4-7,10H,3,8-9,12H2,1-2H3


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