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

Systemtic Name: methyl (2R)-4-methyl-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3S/c1-12(2)9-14(16(23)24-3)19-15(22)10-25-17-20-18-11-21(17)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,22)/t14-/m1/s1