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

Systemtic Name: diethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-5-methyl-furan-3,4-dicarboxylate Openeye Name: diethyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-5-methyl-furan-3,4-dicarboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-5-methylfuran-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-5-methylfuran-3,4-dicarboxylate Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-5-methyl-furan-3,4-dicarboxylic acid diethyl ester Formula: C24H29N5O6S MolecularWeight: 515.58196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O6S/c1-5-33-21(31)17-15(4)35-20(18(17)22(32)34-6-2)26-19(30)14(3)29-23(25)27-28-24(29)36-13-12-16-10-8-7-9-11-16/h7-11,14H,5-6,12-13H2,1-4H3,(H2,25,27)(H,26,30)