ethyl 6-[5-(butylsulfanylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[5-(butylsulfanylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[5-(butylsulfanylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxo-hexanoate CAS Name: 6-[5-[(butylthio)methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-(butylsulfanylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate Traditional Name: 6-[5-[(butylthio)methyl]-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(NC(=O)N1)C(=O)CCCCC(=O)OCC

Isomeric SMILES

CCCCSCC1=C(NC(=O)N1)C(=O)CCCCC(=O)OCC

InChI

InChI=1S/C16H26N2O4S/c1-3-5-10-23-11-12-15(18-16(21)17-12)13(19)8-6-7-9-14(20)22-4-2/h3-11H2,1-2H3,(H2,17,18,21)