2-chloroethyl 3-(2-methylphenyl)-2-thiocyanato-propanoate

Systemtic Name: 2-chloroethyl 3-(2-methylphenyl)-2-thiocyanato-propanoate Openeye Name: 2-chloroethyl 3-(o-tolyl)-2-thiocyanato-propanoate CAS Name: 3-(2-methylphenyl)-2-thiocyanatopropanoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 3-(2-methylphenyl)-2-thiocyanatopropanoate Traditional Name: 3-(o-tolyl)-2-thiocyanato-propionic acid 2-chloroethyl ester Formula: C13H14ClNO2S MolecularWeight: 283.77376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C(=O)OCCCl)SC#N

Isomeric SMILES

CC1=CC=CC=C1CC(C(=O)OCCCl)SC#N

InChI

InChI=1S/C13H14ClNO2S/c1-10-4-2-3-5-11(10)8-12(18-9-15)13(16)17-7-6-14/h2-5,12H,6-8H2,1H3