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

Systemtic Name: diethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-5-methyl-furan-3,4-dicarboxylate Openeye Name: diethyl 2-[[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-methyl-furan-3,4-dicarboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-5-methylfuran-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-methylfuran-3,4-dicarboxylate Traditional Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetyl]amino]-5-methyl-furan-3,4-dicarboxylic acid diethyl ester Formula: C23H27N5O6S MolecularWeight: 501.55538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)OCC)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)OCC)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N)C

InChI

InChI=1S/C23H27N5O6S/c1-4-32-20(30)17-14(3)34-19(18(17)21(31)33-5-2)25-16(29)13-28-22(24)26-27-23(28)35-12-11-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3,(H2,24,26)(H,25,29)