methyl 3-[(7-oxidanylidene-4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[(7-oxidanylidene-4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)methyl]benzoate Openeye Name: methyl 3-[[7-oxo-4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 3-[[7-oxo-4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[7-oxo-4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 3-[[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(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

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