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

Systemtic Name: methyl 5-[[4-(5-methylsulfanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[5-(methylthio)-2-thiophenyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[5-(methylthio)thiophene-2-carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)SC

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)SC

InChI

InChI=1S/C18H22N2O4S2/c1-23-18(22)14-5-4-13(24-14)12-19-8-3-9-20(11-10-19)17(21)15-6-7-16(25-2)26-15/h4-7H,3,8-12H2,1-2H3