[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-phenylimidazole-4-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-phenylimidazole-4-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-2-oxo-ethyl] 3-phenylimidazole-4-carboxylate CAS Name: 3-phenyl-4-imidazolecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-phenylimidazole-4-carboxylate Traditional Name: 3-phenylimidazole-4-carboxylic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN=CN2C3=CC=CC=C3

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN=CN2C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O5S/c1-2-20(15-8-9-27(24,25)12-15)17(22)11-26-18(23)16-10-19-13-21(16)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3