ethyl 4-aminocarbonyl-5-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-2-methyl-furan-3-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-5-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-2-methyl-furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-5-[[2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-methyl-furan-3-carboxylate CAS Name: 4-carbamoyl-5-[[2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-2-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-5-[[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2-methylfuran-3-carboxylate Traditional Name: 4-carbamoyl-5-[[2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]amino]-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4)C

InChI

InChI=1S/C21H28N6O5S/c1-3-31-19(30)15-12(2)32-18(16(15)17(22)29)23-14(28)11-33-21-25-24-20(27(21)13-7-8-13)26-9-5-4-6-10-26/h13H,3-11H2,1-2H3,(H2,22,29)(H,23,28)