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

Systemtic Name: diethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-5-methyl-furan-3,4-dicarboxylate Openeye Name: diethyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-5-methyl-furan-3,4-dicarboxylate CAS Name: 2-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-5-methylfuran-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-5-methylfuran-3,4-dicarboxylate Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butanoylamino]-5-methyl-furan-3,4-dicarboxylic acid diethyl ester Formula: C19H27N5O6S MolecularWeight: 453.51258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O6S/c1-6-11(24-18(20)22-23-19(24)31-9-4)14(25)21-15-13(17(27)29-8-3)12(10(5)30-15)16(26)28-7-2/h11H,6-9H2,1-5H3,(H2,20,22)(H,21,25)