methyl 2-[(4Z)-1-butyl-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[(4Z)-1-butyl-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoate Openeye Name: methyl 2-[(4Z)-4-benzylidene-1-butyl-5-oxo-imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4Z)-1-butyl-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-benzylidene-1-butyl-5-oxoimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4Z)-4-benzal-1-butyl-5-keto-2-imidazolin-2-yl]thio]acetic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC=CC=C2)N=C1SCC(=O)OC

Isomeric SMILES

CCCCN1C(=O)/C(=C/C2=CC=CC=C2)/N=C1SCC(=O)OC

InChI

InChI=1S/C17H20N2O3S/c1-3-4-10-19-16(21)14(11-13-8-6-5-7-9-13)18-17(19)23-12-15(20)22-2/h5-9,11H,3-4,10,12H2,1-2H3/b14-11-