methyl (2R)-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C10H14N4O3S2 MolecularWeight: 302.37316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CSC2=NC=NN2

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C10H14N4O3S2/c1-17-9(16)7-4-14(2-3-18-7)8(15)5-19-10-11-6-12-13-10/h6-7H,2-5H2,1H3,(H,11,12,13)/t7-/m1/s1