methyl (2R)-2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(CC(C)C)C(=O)OC)C2=CC=CS2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N[C@H](CC(C)C)C(=O)OC)C2=CC=CS2

InChI

InChI=1S/C17H24N4O3S2/c1-5-21-15(13-7-6-8-25-13)19-20-17(21)26-10-14(22)18-12(9-11(2)3)16(23)24-4/h6-8,11-12H,5,9-10H2,1-4H3,(H,18,22)/t12-/m1/s1