diethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-5-methyl-furan-3,4-dicarboxylate

Systemtic Name: diethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-5-methyl-furan-3,4-dicarboxylate Openeye Name: diethyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-5-methyl-furan-3,4-dicarboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-5-methylfuran-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-5-methylfuran-3,4-dicarboxylate Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butanoylamino]-5-methyl-furan-3,4-dicarboxylic acid diethyl ester Formula: C25H31N5O6S MolecularWeight: 529.60854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O6S/c1-5-17(30-24(26)28-29-25(30)37-14-13-16-11-9-8-10-12-16)20(31)27-21-19(23(33)35-7-3)18(15(4)36-21)22(32)34-6-2/h8-12,17H,5-7,13-14H2,1-4H3,(H2,26,28)(H,27,31)