ethyl 2-butyl-3-(phenylmethylsulfanyl)-1,2-dihydroimidazole-5-carboxylate

Systemtic Name: ethyl 2-butyl-3-(phenylmethylsulfanyl)-1,2-dihydroimidazole-5-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-2-butyl-1,2-dihydroimidazole-5-carboxylate CAS Name: 2-butyl-3-(phenylmethylthio)-1,2-dihydroimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-butyl-1,2-dihydroimidazole-5-carboxylate Traditional Name: 1-(benzylthio)-2-butyl-4-imidazoline-4-carboxylic acid ethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1SCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCC1NC(=CN1SCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C17H24N2O2S/c1-3-5-11-16-18-15(17(20)21-4-2)12-19(16)22-13-14-9-7-6-8-10-14/h6-10,12,16,18H,3-5,11,13H2,1-2H3