[5-[[4-(2-methoxy-4-methylsulfanyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(2-methoxy-4-methylsulfanyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(2-methoxy-4-methylsulfanyl-benzoyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(2-methoxy-4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-[2-methoxy-4-(methylthio)benzoyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C22H28N2O5S/c1-16(25)28-15-18-6-5-17(29-18)14-23-9-4-10-24(12-11-23)22(26)20-8-7-19(30-3)13-21(20)27-2/h5-8,13H,4,9-12,14-15H2,1-3H3