ethyl 4-ethanoyl-5-methyl-2-[2-[3-(4-methylphenyl)sulfanylpropanoyloxy]ethanoylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-[3-(4-methylphenyl)sulfanylpropanoyloxy]ethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[[2-[3-(p-tolylsulfanyl)propanoyloxy]acetyl]amino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[2-[3-[(4-methylphenyl)thio]-1-oxopropoxy]-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[[2-[3-(4-methylphenyl)sulfanylpropanoyloxy]acetyl]amino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[[2-[3-(p-tolylthio)propanoyloxy]acetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)COC(=O)CCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)COC(=O)CCSC2=CC=C(C=C2)C

InChI

InChI=1S/C22H25NO7S/c1-5-28-22(27)20-19(14(3)24)15(4)30-21(20)23-17(25)12-29-18(26)10-11-31-16-8-6-13(2)7-9-16/h6-9H,5,10-12H2,1-4H3,(H,23,25)