[5-[[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[3-(methylthio)-1-oxopropyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-[3-(methylthio)propanoyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C17H26N2O4S MolecularWeight: 354.46434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)CCSC

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)CCSC

InChI

InChI=1S/C17H26N2O4S/c1-14(20)22-13-16-5-4-15(23-16)12-18-7-3-8-19(10-9-18)17(21)6-11-24-2/h4-5H,3,6-13H2,1-2H3