methyl (2S,4R)-4-oxidanyl-1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-oxidanyl-1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-hydroxy-1-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-hydroxy-1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CN2C(=S)N=C(N2)C3=CC=CS3)O

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1CN2C(=S)N=C(N2)C3=CC=CS3)O

InChI

InChI=1S/C13H16N4O3S2/c1-20-12(19)9-5-8(18)6-16(9)7-17-13(21)14-11(15-17)10-3-2-4-22-10/h2-4,8-9,18H,5-7H2,1H3,(H,14,15,21)/t8-,9+/m1/s1