phenyl 3-(4-methylphenyl)-2-thiocyanato-propanoate

Systemtic Name: phenyl 3-(4-methylphenyl)-2-thiocyanato-propanoate Openeye Name: phenyl 3-(p-tolyl)-2-thiocyanato-propanoate CAS Name: 3-(4-methylphenyl)-2-thiocyanatopropanoic acid phenyl ester IUPAC Name: phenyl 3-(4-methylphenyl)-2-thiocyanatopropanoate Traditional Name: 3-(p-tolyl)-2-thiocyanato-propionic acid phenyl ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2)SC#N

InChI

InChI=1S/C17H15NO2S/c1-13-7-9-14(10-8-13)11-16(21-12-18)17(19)20-15-5-3-2-4-6-15/h2-10,16H,11H2,1H3