methyl 3-methyl-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CSC1=NN=CN1C(C)C

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)CSC1=NN=CN1C(C)C

InChI

InChI=1S/C13H22N4O3S/c1-8(2)11(12(19)20-5)15-10(18)6-21-13-16-14-7-17(13)9(3)4/h7-9,11H,6H2,1-5H3,(H,15,18)