(2R,3R,4R,5R,6R,7R)-3,6-bis[(2-methyl-1,3-thiazol-4-yl)methoxy]-1,1-bis(oxidanylidene)-2,7-bis(phenylmethyl)thiepane-4,5-diol

Systemtic Name: (2R,3R,4R,5R,6R,7R)-3,6-bis[(2-methyl-1,3-thiazol-4-yl)methoxy]-1,1-bis(oxidanylidene)-2,7-bis(phenylmethyl)thiepane-4,5-diol Openeye Name: (2R,3R,4R,5R,6R,7R)-2,7-dibenzyl-3,6-bis[(2-methylthiazol-4-yl)methoxy]-1,1-dioxo-thiepane-4,5-diol CAS Name: (2R,3R,4R,5R,6R,7R)-3,6-bis[(2-methyl-4-thiazolyl)methoxy]-1,1-dioxo-2,7-bis(phenylmethyl)thiepane-4,5-diol IUPAC Name: (2R,3R,4R,5R,6R,7R)-2,7-dibenzyl-3,6-bis[(2-methyl-1,3-thiazol-4-yl)methoxy]-1,1-dioxothiepane-4,5-diol Traditional Name: (2R,3R,4R,5R,6R,7R)-2,7-dibenzyl-1,1-diketo-3,6-bis[(2-methylthiazol-4-yl)methoxy]thiepane-4,5-diol Formula: C30H34N2O6S3 MolecularWeight: 614.79576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2C(S(=O)(=O)C(C(C(C2O)O)OCC3=CSC(=N3)C)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CS1)CO[C@H]2[C@H](S(=O)(=O)[C@@H]([C@@H]([C@@H]([C@H]2O)O)OCC3=CSC(=N3)C)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N2O6S3/c1-19-31-23(17-39-19)15-37-29-25(13-21-9-5-3-6-10-21)41(35,36)26(14-22-11-7-4-8-12-22)30(28(34)27(29)33)38-16-24-18-40-20(2)32-24/h3-12,17-18,25-30,33-34H,13-16H2,1-2H3/t25-,26-,27-,28-,29+,30+/m1/s1