methyl (2R,3S,6R)-2-(acetyloxymethyl)-6-(5,6-dimethylbenzotriazol-1-yl)oxane-3-carboxylate

Systemtic Name: methyl (2R,3S,6R)-2-(acetyloxymethyl)-6-(5,6-dimethylbenzotriazol-1-yl)oxane-3-carboxylate Openeye Name: methyl (2R,3S,6R)-2-(acetoxymethyl)-6-(5,6-dimethylbenzotriazol-1-yl)tetrahydropyran-3-carboxylate CAS Name: (2R,3S,6R)-2-(acetyloxymethyl)-6-(5,6-dimethyl-1-benzotriazolyl)-3-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,6R)-2-(acetyloxymethyl)-6-(5,6-dimethylbenzotriazol-1-yl)oxane-3-carboxylate Traditional Name: (2R,3S,6R)-2-(acetoxymethyl)-6-(5,6-dimethylbenzotriazol-1-yl)tetrahydropyran-3-carboxylic acid methyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(N=N2)C3CCC(C(O3)COC(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N(N=N2)[C@H]3CC[C@@H]([C@@H](O3)COC(=O)C)C(=O)OC

InChI

InChI=1S/C18H23N3O5/c1-10-7-14-15(8-11(10)2)21(20-19-14)17-6-5-13(18(23)24-4)16(26-17)9-25-12(3)22/h7-8,13,16-17H,5-6,9H2,1-4H3/t13-,16-,17+/m0/s1