N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[[5-[(methylthio)methyl]-2-furanyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[[5-[(methylthio)methyl]-2-furyl]methyl]amine Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)CNC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CSCC1=CC=C(O1)CNC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H19NO3S/c1-21-11-14-5-4-13(20-14)10-17-12-3-6-15-16(9-12)19-8-2-7-18-15/h3-6,9,17H,2,7-8,10-11H2,1H3