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3-[(phenethylamino)methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiine-5,6-dione

3-[(phenethylamino)methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiine-5,6-dione

Systemtic Name:3-[(phenethylamino)methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiine-5,6-dione
Openeye Name:3-[(phenethylamino)methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiine-5,6-dione
CAS Name:3-[(phenethylamino)methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiin-5,6-dione
IUPAC Name:3-[(phenethylamino)methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiine-5,6-dione
Traditional Name:3-[(phenethylamino)methyl]-2,3-dihydrobenzo[f][1,4]benzoxathiin-5,6-quinone
Formula: C21H19NO3S
MolecularWeight: 365.44546
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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(S1)C3=CC=CC=C3C(=O)C2=O)CNCCC4=CC=CC=C4


Isomeric SMILES

C1C(OC2=C(S1)C3=CC=CC=C3C(=O)C2=O)CNCCC4=CC=CC=C4


InChI

InChI=1S/C21H19NO3S/c23-18-16-8-4-5-9-17(16)21-20(19(18)24)25-15(13-26-21)12-22-11-10-14-6-2-1-3-7-14/h1-9,15,22H,10-13H2


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