ethyl 3-(4-fluorophenyl)-2-thiocyanato-propanoate

Systemtic Name: ethyl 3-(4-fluorophenyl)-2-thiocyanato-propanoate Openeye Name: ethyl 3-(4-fluorophenyl)-2-thiocyanato-propanoate CAS Name: 3-(4-fluorophenyl)-2-thiocyanatopropanoic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-2-thiocyanatopropanoate Traditional Name: 3-(4-fluorophenyl)-2-thiocyanato-propionic acid ethyl ester Formula: C12H12FNO2S MolecularWeight: 253.292583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)F)SC#N

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)F)SC#N

InChI

InChI=1S/C12H12FNO2S/c1-2-16-12(15)11(17-8-14)7-9-3-5-10(13)6-4-9/h3-6,11H,2,7H2,1H3