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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate Openeye Name: ethyl 4-acetyl-2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-5-methyl-furan-3-carboxylate CAS Name: 4-acetyl-2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]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)butanoylamino]-5-methylfuran-3-carboxylate Traditional Name: 4-acetyl-2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butanoylamino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C24H29N5O5S MolecularWeight: 499.58256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)C)C(=O)OCC)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)C)C(=O)OCC)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C24H29N5O5S/c1-5-17(29-23(25)27-28-24(29)35-13-12-16-10-8-7-9-11-16)20(31)26-21-19(22(32)33-6-2)18(14(3)30)15(4)34-21/h7-11,17H,5-6,12-13H2,1-4H3,(H2,25,27)(H,26,31)