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

Systemtic Name: phenyl 3-(4-methoxyphenyl)-2-thiocyanato-propanoate Openeye Name: phenyl 3-(4-methoxyphenyl)-2-thiocyanato-propanoate CAS Name: 3-(4-methoxyphenyl)-2-thiocyanatopropanoic acid phenyl ester IUPAC Name: phenyl 3-(4-methoxyphenyl)-2-thiocyanatopropanoate Traditional Name: 3-(4-methoxyphenyl)-2-thiocyanato-propionic acid phenyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2)SC#N

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2)SC#N

InChI

InChI=1S/C17H15NO3S/c1-20-14-9-7-13(8-10-14)11-16(22-12-18)17(19)21-15-5-3-2-4-6-15/h2-10,16H,11H2,1H3