bis(phenylmethyl) 2-[(1S,2S)-2-(1-imidazol-1-ylcarbothioyloxy-7-methoxy-7-oxidanylidene-heptyl)-3-oxidanylidene-cyclopentyl]-2-methyl-propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1S,2S)-2-(1-imidazol-1-ylcarbothioyloxy-7-methoxy-7-oxidanylidene-heptyl)-3-oxidanylidene-cyclopentyl]-2-methyl-propanedioate Openeye Name: dibenzyl 2-[(1S,2S)-2-[1-(imidazole-1-carbothioyloxy)-7-methoxy-7-oxo-heptyl]-3-oxo-cyclopentyl]-2-methyl-propanedioate CAS Name: 2-[(1S,2S)-2-[1-[1-imidazolyl(sulfanylidene)methoxy]-7-methoxy-7-oxoheptyl]-3-oxocyclopentyl]-2-methylpropanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1S,2S)-2-[1-(imidazole-1-carbothioyloxy)-7-methoxy-7-oxoheptyl]-3-oxocyclopentyl]-2-methylpropanedioate Traditional Name: 2-[(1S,2S)-2-[1-(imidazole-1-carbothioyloxy)-7-keto-7-methoxy-heptyl]-3-keto-cyclopentyl]-2-methyl-malonic acid dibenzyl ester Formula: C35H40N2O8S MolecularWeight: 648.7657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC(=O)C1C(CCCCCC(=O)OC)OC(=S)N2C=CN=C2)(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC([C@H]1CCC(=O)[C@@H]1C(CCCCCC(=O)OC)OC(=S)N2C=CN=C2)(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H40N2O8S/c1-35(32(40)43-22-25-12-6-3-7-13-25,33(41)44-23-26-14-8-4-9-15-26)27-18-19-28(38)31(27)29(16-10-5-11-17-30(39)42-2)45-34(46)37-21-20-36-24-37/h3-4,6-9,12-15,20-21,24,27,29,31H,5,10-11,16-19,22-23H2,1-2H3/t27-,29?,31+/m0/s1