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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate Openeye Name: ethyl 4-acetyl-2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-5-methyl-furan-3-carboxylate CAS Name: 4-acetyl-2-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]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)propanoylamino]-5-methylfuran-3-carboxylate Traditional Name: 4-acetyl-2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]propanoylamino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O5S/c1-6-26-15(25)12-11(9(4)23)10(5)27-14(12)19-13(24)8(3)22-16(18)20-21-17(22)28-7-2/h8H,6-7H2,1-5H3,(H2,18,20)(H,19,24)