ethyl 2-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate Openeye Name: ethyl 4-acetyl-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-5-methyl-furan-3-carboxylate CAS Name: 4-acetyl-2-[[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]amino]-5-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-5-methylfuran-3-carboxylate Traditional Name: 4-acetyl-2-[[2-[(4-tert-butylphenyl)thio]acetyl]amino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CSC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CSC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H27NO5S/c1-7-27-21(26)19-18(13(2)24)14(3)28-20(19)23-17(25)12-29-16-10-8-15(9-11-16)22(4,5)6/h8-11H,7,12H2,1-6H3,(H,23,25)