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

Systemtic Name: ethyl 4-aminocarbonyl-5-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-2-methyl-furan-3-carboxylate Openeye Name: ethyl 5-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-carbamoyl-2-methyl-furan-3-carboxylate CAS Name: 5-[[2-[3-amino-5-(phenethylthio)-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-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-carbamoyl-2-methylfuran-3-carboxylate Traditional Name: 5-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butanoylamino]-4-carbamoyl-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C23H28N6O5S MolecularWeight: 500.57062

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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=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)N)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C23H28N6O5S/c1-4-15(29-22(25)27-28-23(29)35-12-11-14-9-7-6-8-10-14)19(31)26-20-17(18(24)30)16(13(3)34-20)21(32)33-5-2/h6-10,15H,4-5,11-12H2,1-3H3,(H2,24,30)(H2,25,27)(H,26,31)