methyl 4-[(7-oxidanylidene-4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(7-oxidanylidene-4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)methyl]benzoate Openeye Name: methyl 4-[[7-oxo-4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[7-oxo-4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-oxo-4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[7-keto-4-(2-thenoyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CCC2=O)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CCC2=O)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H20N2O4S/c1-25-19(24)15-6-4-14(5-7-15)13-21-11-10-20(9-8-17(21)22)18(23)16-3-2-12-26-16/h2-7,12H,8-11,13H2,1H3