propyl 4-[2-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate Openeye Name: propyl 4-[[2-[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[4-(5-methyl-2-thiophenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-4-(5-methyl-2-thienyl)butanoyl]oxyacetyl]amino]benzoic acid propyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C21H23NO6S/c1-3-12-27-21(26)15-5-7-16(8-6-15)22-19(24)13-28-20(25)11-9-17(23)18-10-4-14(2)29-18/h4-8,10H,3,9,11-13H2,1-2H3,(H,22,24)