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

Systemtic Name: ethyl 4-aminocarbonyl-5-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-2-methyl-furan-3-carboxylate Openeye Name: ethyl 5-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-carbamoyl-2-methyl-furan-3-carboxylate CAS Name: 5-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-4-carbamoyl-2-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-carbamoyl-2-methylfuran-3-carboxylate Traditional Name: 5-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]butanoylamino]-4-carbamoyl-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C16H22N6O5S MolecularWeight: 410.44808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)N)N2C(=NN=C2SC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)N)N2C(=NN=C2SC)N

InChI

InChI=1S/C16H22N6O5S/c1-5-8(22-15(18)20-21-16(22)28-4)12(24)19-13-10(11(17)23)9(7(3)27-13)14(25)26-6-2/h8H,5-6H2,1-4H3,(H2,17,23)(H2,18,20)(H,19,24)