dimethyl 2-[1,3-bis(phenylmethyl)imidazol-2-ylidene]-3-sulfanylidene-butanedioate

Systemtic Name: dimethyl 2-[1,3-bis(phenylmethyl)imidazol-2-ylidene]-3-sulfanylidene-butanedioate Openeye Name: dimethyl 2-(1,3-dibenzylimidazol-2-ylidene)-3-thioxo-butanedioate CAS Name: 2-[1,3-bis(phenylmethyl)-2-imidazolylidene]-3-sulfanylidenebutanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1,3-dibenzylimidazol-2-ylidene)-3-sulfanylidenebutanedioate Traditional Name: 2-(1,3-dibenzyl-4-imidazolin-2-ylidene)-3-thioxo-succinic acid dimethyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1N(C=CN1CC2=CC=CC=C2)CC3=CC=CC=C3)C(=S)C(=O)OC

Isomeric SMILES

COC(=O)C(=C1N(C=CN1CC2=CC=CC=C2)CC3=CC=CC=C3)C(=S)C(=O)OC

InChI

InChI=1S/C23H22N2O4S/c1-28-22(26)19(20(30)23(27)29-2)21-24(15-17-9-5-3-6-10-17)13-14-25(21)16-18-11-7-4-8-12-18/h3-14H,15-16H2,1-2H3