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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate Openeye Name: ethyl 4-acetyl-2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-5-methyl-furan-3-carboxylate CAS Name: 4-acetyl-2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]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)propanoylamino]-5-methylfuran-3-carboxylate Traditional Name: 4-acetyl-2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C23H27N5O5S/c1-5-32-21(31)18-17(14(3)29)15(4)33-20(18)25-19(30)13(2)28-22(24)26-27-23(28)34-12-11-16-9-7-6-8-10-16/h6-10,13H,5,11-12H2,1-4H3,(H2,24,26)(H,25,30)