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

Systemtic Name: diethyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-5-methyl-furan-3,4-dicarboxylate Openeye Name: diethyl 2-[[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-methyl-furan-3,4-dicarboxylate CAS Name: 2-[[2-[3-amino-5-(methylthio)-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-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-methylfuran-3,4-dicarboxylate Traditional Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]acetyl]amino]-5-methyl-furan-3,4-dicarboxylic acid diethyl ester Formula: C16H21N5O6S MolecularWeight: 411.43284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)OCC)NC(=O)CN2C(=NN=C2SC)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)OCC)NC(=O)CN2C(=NN=C2SC)N)C

InChI

InChI=1S/C16H21N5O6S/c1-5-25-13(23)10-8(3)27-12(11(10)14(24)26-6-2)18-9(22)7-21-15(17)19-20-16(21)28-4/h5-7H2,1-4H3,(H2,17,19)(H,18,22)