ethyl 2-[(4E)-1-(3-methoxypropyl)-4-[(1-methylpyrazol-4-yl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[(4E)-1-(3-methoxypropyl)-4-[(1-methylpyrazol-4-yl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[(4E)-1-(3-methoxypropyl)-4-[(1-methylpyrazol-4-yl)methylene]-5-oxo-imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4E)-1-(3-methoxypropyl)-4-[(1-methyl-4-pyrazolyl)methylidene]-5-oxo-2-imidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-1-(3-methoxypropyl)-4-[(1-methylpyrazol-4-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4E)-5-keto-1-(3-methoxypropyl)-4-[(1-methylpyrazol-4-yl)methylene]-2-imidazolin-2-yl]thio]acetic acid ethyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=CC2=CN(N=C2)C)C(=O)N1CCCOC

Isomeric SMILES

CCOC(=O)CSC1=N/C(=C/C2=CN(N=C2)C)/C(=O)N1CCCOC

InChI

InChI=1S/C16H22N4O4S/c1-4-24-14(21)11-25-16-18-13(8-12-9-17-19(2)10-12)15(22)20(16)6-5-7-23-3/h8-10H,4-7,11H2,1-3H3/b13-8+