ethyl 4-ethyl-5-methyl-2-[2-(4-oxidanylidene-4-phenyl-butanoyl)oxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-(4-oxidanylidene-4-phenyl-butanoyl)oxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-(4-oxo-4-phenyl-butanoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(1,4-dioxo-4-phenylbutoxy)-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(4-oxo-4-phenylbutanoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-(4-keto-4-phenyl-butanoyl)oxyacetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)CCC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)CCC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H25NO6S/c1-4-16-14(3)30-21(20(16)22(27)28-5-2)23-18(25)13-29-19(26)12-11-17(24)15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3,(H,23,25)