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

Systemtic Name: ethyl 6-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxo-hexanoate CAS Name: 6-[5-[(1H-benzimidazol-2-ylthio)methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate Traditional Name: 6-[5-[(1H-benzimidazol-2-ylthio)methyl]-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H22N4O4S/c1-2-27-16(25)10-6-5-9-15(24)17-14(20-18(26)23-17)11-28-19-21-12-7-3-4-8-13(12)22-19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,22)(H2,20,23,26)