[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-oxidanylidene-3-phenylazanyl-quinazolin-2-yl)sulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-oxidanylidene-3-phenylazanyl-quinazolin-2-yl)sulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-(3-anilino-4-oxo-quinazolin-2-yl)sulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(3-anilino-4-oxo-2-quinazolinyl)thio]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-anilino-4-oxoquinazolin-2-yl)sulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[(3-anilino-4-keto-quinazolin-2-yl)thio]tetrahydropyran-2-yl]methyl ester Formula: C28H29N3O10S MolecularWeight: 599.60896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2=NC3=CC=CC=C3C(=O)N2NC4=CC=CC=C4)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=NC3=CC=CC=C3C(=O)N2NC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H29N3O10S/c1-15(32)37-14-22-23(38-16(2)33)24(39-17(3)34)25(40-18(4)35)27(41-22)42-28-29-21-13-9-8-12-20(21)26(36)31(28)30-19-10-6-5-7-11-19/h5-13,22-25,27,30H,14H2,1-4H3/t22-,23+,24+,25-,27+/m1/s1