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

Systemtic Name: ethyl 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methylsulfanyl-imidazol-1-yl]methyl]benzoate Openeye Name: ethyl 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxo-prop-1-enyl]-2-methylsulfanyl-imidazol-1-yl]methyl]benzoate CAS Name: 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxoprop-1-enyl]-2-(methylthio)-1-imidazolyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxoprop-1-enyl]-2-methylsulfanylimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[5-[(Z)-2-azido-3-ethoxy-3-keto-prop-1-enyl]-2-(methylthio)imidazol-1-yl]methyl]benzoic acid ethyl ester Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=CN=C2SC)C=C(C(=O)OCC)N=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=CN=C2SC)/C=C(/C(=O)OCC)\N=[N+]=[N-]

InChI

InChI=1S/C19H21N5O4S/c1-4-27-17(25)14-8-6-13(7-9-14)12-24-15(11-21-19(24)29-3)10-16(22-23-20)18(26)28-5-2/h6-11H,4-5,12H2,1-3H3/b16-10-