ethyl 2-[2-(2-ethoxy-4-methanoyl-phenoxy)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-ethoxy-4-methanoyl-phenoxy)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-ethoxy-4-formyl-phenoxy)acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-ethoxy-4-formylphenoxy)-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-ethoxy-4-formyl-phenoxy)acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC2=C(C=C(S2)C(C)C)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC2=C(C=C(S2)C(C)C)C(=O)OCC

InChI

InChI=1S/C21H25NO6S/c1-5-26-17-9-14(11-23)7-8-16(17)28-12-19(24)22-20-15(21(25)27-6-2)10-18(29-20)13(3)4/h7-11,13H,5-6,12H2,1-4H3,(H,22,24)