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

Systemtic Name: ethyl 4-aminocarbonyl-5-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-2-methyl-furan-3-carboxylate Openeye Name: ethyl 5-[[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4-carbamoyl-2-methyl-furan-3-carboxylate CAS Name: 5-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]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)acetyl]amino]-4-carbamoyl-2-methylfuran-3-carboxylate Traditional Name: 5-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetyl]amino]-4-carbamoyl-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C21H24N6O5S MolecularWeight: 472.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N)C

InChI

InChI=1S/C21H24N6O5S/c1-3-31-19(30)15-12(2)32-18(16(15)17(22)29)24-14(28)11-27-20(23)25-26-21(27)33-10-9-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H2,22,29)(H2,23,25)(H,24,28)