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

Systemtic Name: 2-chloroethyl 3-(3-methylphenyl)-2-thiocyanato-propanoate Openeye Name: 2-chloroethyl 3-(m-tolyl)-2-thiocyanato-propanoate CAS Name: 3-(3-methylphenyl)-2-thiocyanatopropanoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 3-(3-methylphenyl)-2-thiocyanatopropanoate Traditional Name: 3-(m-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=C1)CC(C(=O)OCCCl)SC#N

Isomeric SMILES

CC1=CC(=CC=C1)CC(C(=O)OCCCl)SC#N

InChI

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