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

Systemtic Name: methyl (2R)-2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-5-23-17(14-9-7-6-8-10-14)21-22-19(23)27-12-16(24)20-15(11-13(2)3)18(25)26-4/h6-10,13,15H,5,11-12H2,1-4H3,(H,20,24)/t15-/m1/s1