propyl 2-(2-cyano-5-isocyanato-phenyl)sulfanylpropanoate

Systemtic Name: propyl 2-(2-cyano-5-isocyanato-phenyl)sulfanylpropanoate Openeye Name: propyl 2-(2-cyano-5-isocyanato-phenyl)sulfanylpropanoate CAS Name: 2-[(2-cyano-5-isocyanatophenyl)thio]propanoic acid propyl ester IUPAC Name: propyl 2-(2-cyano-5-isocyanatophenyl)sulfanylpropanoate Traditional Name: 2-[(2-cyano-5-isocyanato-phenyl)thio]propionic acid propyl ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)SC1=C(C=CC(=C1)N=C=O)C#N

Isomeric SMILES

CCCOC(=O)C(C)SC1=C(C=CC(=C1)N=C=O)C#N

InChI

InChI=1S/C14H14N2O3S/c1-3-6-19-14(18)10(2)20-13-7-12(16-9-17)5-4-11(13)8-15/h4-5,7,10H,3,6H2,1-2H3