ethyl 2-isothiocyanato-4-phenylmethoxy-benzoate

Systemtic Name: ethyl 2-isothiocyanato-4-phenylmethoxy-benzoate Openeye Name: ethyl 4-benzyloxy-2-isothiocyanato-benzoate CAS Name: 2-isothiocyanato-4-phenylmethoxybenzoic acid ethyl ester IUPAC Name: ethyl 2-isothiocyanato-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-2-isothiocyanato-benzoic acid ethyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)N=C=S

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)N=C=S

InChI

InChI=1S/C17H15NO3S/c1-2-20-17(19)15-9-8-14(10-16(15)18-12-22)21-11-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3