[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethanoate

Systemtic Name: [(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethanoate Openeye Name: [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-(4-methyl-2-oxo-thiazol-3-yl)acetate CAS Name: 2-(4-methyl-2-oxo-3-thiazolyl)acetic acid [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate Traditional Name: 2-(2-keto-4-methyl-4-thiazolin-3-yl)acetic acid [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C21H18BrNO5S MolecularWeight: 476.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CC(=O)OCC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=O)N1CC(=O)OCC2=C3C(=CC(=C2)Br)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C21H18BrNO5S/c1-13-12-29-21(25)23(13)9-18(24)26-10-15-7-17(22)8-16-11-27-20(28-19(15)16)14-5-3-2-4-6-14/h2-8,12,20H,9-11H2,1H3/t20-/m0/s1