ethyl 4-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O4S/c1-2-30-23(29)26-12-10-25(11-13-26)21(28)17-32-22-24-15-20(18-7-4-3-5-8-18)27(22)16-19-9-6-14-31-19/h3-5,7-8,15,19H,2,6,9-14,16-17H2,1H3