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(3S)-2-butyl-3-(phenylmethylsulfanyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one

(3S)-2-butyl-3-(phenylmethylsulfanyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one

Systemtic Name:(3S)-2-butyl-3-(phenylmethylsulfanyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one
Openeye Name:(3S)-3-benzylsulfanyl-2-butyl-4,5,6,7-tetrahydro-3H-isoindol-1-one
CAS Name:(3S)-2-butyl-3-(phenylmethylthio)-4,5,6,7-tetrahydro-3H-isoindol-1-one
IUPAC Name:(3S)-3-benzylsulfanyl-2-butyl-4,5,6,7-tetrahydro-3H-isoindol-1-one
Traditional Name:(3S)-3-(benzylthio)-2-butyl-4,5,6,7-tetrahydro-3H-isoindol-1-one
Formula: C19H25NOS
MolecularWeight: 315.4729
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=C(C1=O)CCCC2)SCC3=CC=CC=C3


Isomeric SMILES

CCCCN1[C@H](C2=C(C1=O)CCCC2)SCC3=CC=CC=C3


InChI

InChI=1S/C19H25NOS/c1-2-3-13-20-18(21)16-11-7-8-12-17(16)19(20)22-14-15-9-5-4-6-10-15/h4-6,9-10,19H,2-3,7-8,11-14H2,1H3/t19-/m0/s1


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