ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate Openeye Name: ethyl 4-acetyl-2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-5-methyl-furan-3-carboxylate CAS Name: 4-acetyl-2-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-5-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-5-methylfuran-3-carboxylate Traditional Name: 4-acetyl-2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butanoylamino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C18H25N5O5S MolecularWeight: 423.4866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)C)C(=O)OCC)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)C)C(=O)OCC)N2C(=NN=C2SCC)N

InChI

InChI=1S/C18H25N5O5S/c1-6-11(23-17(19)21-22-18(23)29-8-3)14(25)20-15-13(16(26)27-7-2)12(9(4)24)10(5)28-15/h11H,6-8H2,1-5H3,(H2,19,21)(H,20,25)