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

Systemtic Name: diethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-5-methyl-furan-3,4-dicarboxylate Openeye Name: diethyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-5-methyl-furan-3,4-dicarboxylate CAS Name: 2-[[2-[3-amino-5-(ethylthio)-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-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-5-methylfuran-3,4-dicarboxylate Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]propanoylamino]-5-methyl-furan-3,4-dicarboxylic acid diethyl ester Formula: C18H25N5O6S MolecularWeight: 439.486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)OCC)NC(=O)C(C)N2C(=NN=C2SCC)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)OCC)NC(=O)C(C)N2C(=NN=C2SCC)N)C

InChI

InChI=1S/C18H25N5O6S/c1-6-27-15(25)11-10(5)29-14(12(11)16(26)28-7-2)20-13(24)9(4)23-17(19)21-22-18(23)30-8-3/h9H,6-8H2,1-5H3,(H2,19,21)(H,20,24)