methyl 4-[(E)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzoate

Systemtic Name: methyl 4-[(E)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzoate Openeye Name: methyl 4-[(E)-(5-oxo-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]benzoate CAS Name: 4-[(E)-(5-oxo-1-propyl-2-sulfanylidene-4-imidazolidinylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate Traditional Name: 4-[(E)-(5-keto-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]benzoic acid methyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)OC)NC1=S

Isomeric SMILES

CCCN1C(=O)/C(=C\C2=CC=C(C=C2)C(=O)OC)/NC1=S

InChI

InChI=1S/C15H16N2O3S/c1-3-8-17-13(18)12(16-15(17)21)9-10-4-6-11(7-5-10)14(19)20-2/h4-7,9H,3,8H2,1-2H3,(H,16,21)/b12-9+