[(2R,3S,5R)-5-azido-3-(4-methoxyphenyl)carbonyloxy-thiolan-2-yl]methyl 4-methoxybenzoate

Systemtic Name: [(2R,3S,5R)-5-azido-3-(4-methoxyphenyl)carbonyloxy-thiolan-2-yl]methyl 4-methoxybenzoate Openeye Name: [(2R,3S,5R)-5-azido-3-(4-methoxybenzoyl)oxy-tetrahydrothiophen-2-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2R,3S,5R)-5-azido-3-[(4-methoxyphenyl)-oxomethoxy]-2-thiolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-azido-3-(4-methoxybenzoyl)oxythiolan-2-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2R,3S,5R)-5-azido-3-p-anisoyloxy-tetrahydrothiophen-2-yl]methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC2C(CC(S2)N=[N+]=[N-])OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](S2)N=[N+]=[N-])OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O6S/c1-27-15-7-3-13(4-8-15)20(25)29-12-18-17(11-19(31-18)23-24-22)30-21(26)14-5-9-16(28-2)10-6-14/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19+/m0/s1