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

Systemtic Name: propan-2-yl 4-[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxyethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-oxo-4-(2-thienyl)butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-(1,4-dioxo-4-thiophen-2-ylbutoxy)-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-4-(2-thienyl)butanoyl]oxyacetyl]amino]benzoic acid isopropyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C20H21NO6S/c1-13(2)27-20(25)14-5-7-15(8-6-14)21-18(23)12-26-19(24)10-9-16(22)17-4-3-11-28-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,23)