(E)-3-[4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylquinazolin-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylquinazolin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanylquinazolin-2-yl]prop-2-enoic acid CAS Name: (E)-3-[4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]-2-quinazolinyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylquinazolin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]quinazolin-2-yl]acrylic acid Formula: C25H26N2O11S MolecularWeight: 562.54574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2=NC(=NC3=CC=CC=C32)C=CC(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=NC(=NC3=CC=CC=C32)/C=C/C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H26N2O11S/c1-12(28)34-11-18-21(35-13(2)29)22(36-14(3)30)23(37-15(4)31)25(38-18)39-24-16-7-5-6-8-17(16)26-19(27-24)9-10-20(32)33/h5-10,18,21-23,25H,11H2,1-4H3,(H,32,33)/b10-9+/t18-,21-,22+,23-,25+/m1/s1