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

Systemtic Name: ethyl 4-aminocarbonyl-5-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-2-methyl-furan-3-carboxylate Openeye Name: ethyl 5-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-carbamoyl-2-methyl-furan-3-carboxylate CAS Name: 5-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4-carbamoyl-2-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-carbamoyl-2-methylfuran-3-carboxylate Traditional Name: 5-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-carbamoyl-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C22H26N6O5S MolecularWeight: 486.54404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O5S/c1-4-32-20(31)15-13(3)33-19(16(15)17(23)29)25-18(30)12(2)28-21(24)26-27-22(28)34-11-10-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H2,23,29)(H2,24,26)(H,25,30)