imidazol-1-yl 2-(2-methylsulfanylphenyl)hept-6-enoate

Systemtic Name: imidazol-1-yl 2-(2-methylsulfanylphenyl)hept-6-enoate Openeye Name: imidazol-1-yl 2-(2-methylsulfanylphenyl)hept-6-enoate CAS Name: 2-[2-(methylthio)phenyl]-6-heptenoic acid 1-imidazolyl ester IUPAC Name: imidazol-1-yl 2-(2-methylsulfanylphenyl)hept-6-enoate Traditional Name: 2-[2-(methylthio)phenyl]hept-6-enoic acid imidazol-1-yl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(CCCC=C)C(=O)ON2C=CN=C2

Isomeric SMILES

CSC1=CC=CC=C1C(CCCC=C)C(=O)ON2C=CN=C2

InChI

InChI=1S/C17H20N2O2S/c1-3-4-5-9-15(14-8-6-7-10-16(14)22-2)17(20)21-19-12-11-18-13-19/h3,6-8,10-13,15H,1,4-5,9H2,2H3