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3-octylsulfanyl-6-(quinolin-2-ylmethoxy)-2,3-dihydrochromen-4-one

Systemtic Name:	3-octylsulfanyl-6-(quinolin-2-ylmethoxy)-2,3-dihydrochromen-4-one
Openeye Name:	3-octylsulfanyl-6-(2-quinolylmethoxy)chroman-4-one
CAS Name:	3-(octylthio)-6-(2-quinolinylmethoxy)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC Name:	3-octylsulfanyl-6-(quinolin-2-ylmethoxy)-2,3-dihydrochromen-4-one
Traditional Name:	3-(octylthio)-6-(2-quinolylmethoxy)chroman-4-one
Formula:	C₂₇H₃₁NO₃S
MolecularWeight:	449.60494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1COC2=C(C1=O)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCCCCCSC1COC2=C(C1=O)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31NO3S/c1-2-3-4-5-6-9-16-32-26-19-31-25-15-14-22(17-23(25)27(26)29)30-18-21-13-12-20-10-7-8-11-24(20)28-21/h7-8,10-15,17,26H,2-6,9,16,18-19H2,1H3

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