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

Systemtic Name: methyl 2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CSC1=NN=CN1C2CC2

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)CSC1=NN=CN1C2CC2

InChI

InChI=1S/C13H20N4O3S/c1-8(2)11(12(19)20-3)15-10(18)6-21-13-16-14-7-17(13)9-4-5-9/h7-9,11H,4-6H2,1-3H3,(H,15,18)