2-chloroethyl 3-phenyl-2-thiocyanato-propanoate

Systemtic Name: 2-chloroethyl 3-phenyl-2-thiocyanato-propanoate Openeye Name: 2-chloroethyl 3-phenyl-2-thiocyanato-propanoate CAS Name: 3-phenyl-2-thiocyanatopropanoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 3-phenyl-2-thiocyanatopropanoate Traditional Name: 3-phenyl-2-thiocyanato-propionic acid 2-chloroethyl ester Formula: C12H12ClNO2S MolecularWeight: 269.74718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCCCl)SC#N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCCCl)SC#N

InChI

InChI=1S/C12H12ClNO2S/c13-6-7-16-12(15)11(17-9-14)8-10-4-2-1-3-5-10/h1-5,11H,6-8H2