methyl (2S,4R)-4-oxidanyl-1-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-oxidanyl-1-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-hydroxy-1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-hydroxy-1-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S/c1-22-13(21)12-7-11(20)8-17(12)9-18-14(23)19(16-15-18)10-5-3-2-4-6-10/h2-6,11-12,20H,7-9H2,1H3/t11-,12+/m1/s1