methyl 2-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H26N4O3S MolecularWeight: 354.46764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NNC(=N1)C2CCCC2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NNC(=N1)C2CCCC2

InChI

InChI=1S/C16H26N4O3S/c1-4-10(2)13(15(22)23-3)17-12(21)9-24-16-18-14(19-20-16)11-7-5-6-8-11/h10-11,13H,4-9H2,1-3H3,(H,17,21)(H,18,19,20)