[(3R,4S)-4-(2-bromanylprop-2-enoxy)-7-methoxy-7-oxidanylidene-2-(phenylsulfanylmethyl)hept-1-en-5-yn-3-yl] benzoate

Systemtic Name: [(3R,4S)-4-(2-bromanylprop-2-enoxy)-7-methoxy-7-oxidanylidene-2-(phenylsulfanylmethyl)hept-1-en-5-yn-3-yl] benzoate Openeye Name: [(1R,2S)-2-(2-bromoallyloxy)-5-methoxy-5-oxo-1-[1-(phenylsulfanylmethyl)vinyl]pent-3-ynyl] benzoate CAS Name: benzoic acid [(3R,4S)-4-(2-bromoprop-2-enoxy)-7-methoxy-7-oxo-2-[(phenylthio)methyl]hept-1-en-5-yn-3-yl] ester IUPAC Name: [(3R,4S)-4-(2-bromoprop-2-enoxy)-7-methoxy-7-oxo-2-(phenylsulfanylmethyl)hept-1-en-5-yn-3-yl] benzoate Traditional Name: benzoic acid [(1R,2S)-2-(2-bromoallyloxy)-5-keto-5-methoxy-1-[1-[(phenylthio)methyl]vinyl]pent-3-ynyl] ester Formula: C25H23BrO5S MolecularWeight: 515.41612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CC(C(C(=C)CSC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OCC(=C)Br

Isomeric SMILES

COC(=O)C#C[C@@H]([C@@H](C(=C)CSC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OCC(=C)Br

InChI

InChI=1S/C25H23BrO5S/c1-18(17-32-21-12-8-5-9-13-21)24(31-25(28)20-10-6-4-7-11-20)22(30-16-19(2)26)14-15-23(27)29-3/h4-13,22,24H,1-2,16-17H2,3H3/t22-,24+/m0/s1