[(2S,3S,4R)-3,4-diazido-5-(4-methylphenyl)sulfanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,4R)-3,4-diazido-5-(4-methylphenyl)sulfanyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,4R)-3,4-diazido-5-(p-tolylsulfanyl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,4R)-3,4-diazido-5-[(4-methylphenyl)thio]-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,4R)-3,4-diazido-5-(4-methylphenyl)sulfanyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,4R)-3,4-diazido-5-(p-tolylthio)tetrahydrofuran-2-yl]methyl ester Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(C(C(O2)COC(=O)C3=CC=CC=C3)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C19H18N6O3S/c1-12-7-9-14(10-8-12)29-19-17(23-25-21)16(22-24-20)15(28-19)11-27-18(26)13-5-3-2-4-6-13/h2-10,15-17,19H,11H2,1H3/t15-,16-,17-,19?/m1/s1