2-[2-[(E)-(1-butyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-(1-butyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-(1-butyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-(1-butyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-(1-butyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-(1-butyl-5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]acetic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC=CC=C2OCC(=O)O)NC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C\C2=CC=CC=C2OCC(=O)O)/NC1=S

InChI

InChI=1S/C16H18N2O4S/c1-2-3-8-18-15(21)12(17-16(18)23)9-11-6-4-5-7-13(11)22-10-14(19)20/h4-7,9H,2-3,8,10H2,1H3,(H,17,23)(H,19,20)/b12-9+