ethyl 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-propylsulfanyl-imidazol-1-yl]methyl]benzoate

Systemtic Name: ethyl 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-propylsulfanyl-imidazol-1-yl]methyl]benzoate Openeye Name: ethyl 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxo-prop-1-enyl]-2-propylsulfanyl-imidazol-1-yl]methyl]benzoate CAS Name: 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxoprop-1-enyl]-2-(propylthio)-1-imidazolyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxoprop-1-enyl]-2-propylsulfanylimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[5-[(Z)-2-azido-3-ethoxy-3-keto-prop-1-enyl]-2-(propylthio)imidazol-1-yl]methyl]benzoic acid ethyl ester Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OCC)C=C(C(=O)OCC)N=[N+]=[N-]

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OCC)/C=C(/C(=O)OCC)\N=[N+]=[N-]

InChI

InChI=1S/C21H25N5O4S/c1-4-11-31-21-23-13-17(12-18(24-25-22)20(28)30-6-3)26(21)14-15-7-9-16(10-8-15)19(27)29-5-2/h7-10,12-13H,4-6,11,14H2,1-3H3/b18-12-