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

Systemtic Name: [5-[[4-(5-methylsulfanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[[5-(methylthio)-2-thiophenyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-[5-(methylthio)thiophene-2-carbonyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)SC

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)SC

InChI

InChI=1S/C19H24N2O4S2/c1-14(22)24-13-16-5-4-15(25-16)12-20-8-3-9-21(11-10-20)19(23)17-6-7-18(26-2)27-17/h4-7H,3,8-13H2,1-2H3