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

Systemtic Name: phenyl 3-(4-ethoxyphenyl)-2-thiocyanato-propanoate Openeye Name: phenyl 3-(4-ethoxyphenyl)-2-thiocyanato-propanoate CAS Name: 3-(4-ethoxyphenyl)-2-thiocyanatopropanoic acid phenyl ester IUPAC Name: phenyl 3-(4-ethoxyphenyl)-2-thiocyanatopropanoate Traditional Name: 3-p-phenetyl-2-thiocyanato-propionic acid phenyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2)SC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2)SC#N

InChI

InChI=1S/C18H17NO3S/c1-2-21-15-10-8-14(9-11-15)12-17(23-13-19)18(20)22-16-6-4-3-5-7-16/h3-11,17H,2,12H2,1H3