methyl 4-[[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-oxo-4-(2-thienyl)butanoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(1,4-dioxo-4-thiophen-2-ylbutoxy)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-keto-4-(2-thienyl)butanoyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C19H19NO6S/c1-25-19(24)14-6-4-13(5-7-14)11-20-17(22)12-26-18(23)9-8-15(21)16-3-2-10-27-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)