methyl 4-[2-[[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[5-[[(1-methyl-2-imidazolyl)thio]methyl]-2-furanyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[5-[[(1-methylimidazol-2-yl)thio]methyl]-2-furoyl]amino]ethyl]benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC=C(O2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCC2=CC=C(O2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O4S/c1-23-12-11-22-20(23)28-13-16-7-8-17(27-16)18(24)21-10-9-14-3-5-15(6-4-14)19(25)26-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)