ethyl 4-[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]oxyacetyl]amino]benzoic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=C(SC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=C(SC(=C2)C)C

InChI

InChI=1S/C21H23NO6S/c1-4-27-21(26)15-5-7-16(8-6-15)22-19(24)12-28-20(25)10-9-18(23)17-11-13(2)29-14(17)3/h5-8,11H,4,9-10,12H2,1-3H3,(H,22,24)