ethyl 3-cyano-2-oxidanyl-4,6-diphenyl-5-thiocyanato-benzoate

Systemtic Name: ethyl 3-cyano-2-oxidanyl-4,6-diphenyl-5-thiocyanato-benzoate Openeye Name: ethyl 3-cyano-2-hydroxy-4,6-diphenyl-5-thiocyanato-benzoate CAS Name: 3-cyano-2-hydroxy-4,6-diphenyl-5-thiocyanatobenzoic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-hydroxy-4,6-diphenyl-5-thiocyanatobenzoate Traditional Name: 3-cyano-2-hydroxy-4,6-diphenyl-5-thiocyanato-benzoic acid ethyl ester Formula: C23H16N2O3S MolecularWeight: 400.44974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1C2=CC=CC=C2)SC#N)C3=CC=CC=C3)C#N)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1C2=CC=CC=C2)SC#N)C3=CC=CC=C3)C#N)O

InChI

InChI=1S/C23H16N2O3S/c1-2-28-23(27)20-19(16-11-7-4-8-12-16)22(29-14-25)18(17(13-24)21(20)26)15-9-5-3-6-10-15/h3-12,26H,2H2,1H3