ethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate Openeye Name: ethyl 4-acetyl-2-[[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-methyl-furan-3-carboxylate CAS Name: 4-acetyl-2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-5-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-2-[[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-methylfuran-3-carboxylate Traditional Name: 4-acetyl-2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetyl]amino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C22H25N5O5S/c1-4-31-20(30)18-17(13(2)28)14(3)32-19(18)24-16(29)12-27-21(23)25-26-22(27)33-11-10-15-8-6-5-7-9-15/h5-9H,4,10-12H2,1-3H3,(H2,23,25)(H,24,29)