3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]azepan-2-one

Systemtic Name: 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]azepan-2-one Openeye Name: 3-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]azepan-2-one CAS Name: 3-[[5-[(methylthio)methyl]-2-furanyl]methylamino]-2-azepanone IUPAC Name: 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]azepan-2-one Traditional Name: 3-[[5-[(methylthio)methyl]-2-furyl]methylamino]azepan-2-one Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)CNC2CCCCNC2=O

Isomeric SMILES

CSCC1=CC=C(O1)CNC2CCCCNC2=O

InChI

InChI=1S/C13H20N2O2S/c1-18-9-11-6-5-10(17-11)8-15-12-4-2-3-7-14-13(12)16/h5-6,12,15H,2-4,7-9H2,1H3,(H,14,16)