ethyl 2-oxidanylidene-4,6-diphenyl-5-thiocyanato-pyran-3-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4,6-diphenyl-5-thiocyanato-pyran-3-carboxylate Openeye Name: ethyl 2-oxo-4,6-diphenyl-5-thiocyanato-pyran-3-carboxylate CAS Name: 2-oxo-4,6-diphenyl-5-thiocyanato-3-pyrancarboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4,6-diphenyl-5-thiocyanatopyran-3-carboxylate Traditional Name: 2-keto-4,6-diphenyl-5-thiocyanato-pyran-3-carboxylic acid ethyl ester Formula: C21H15NO4S MolecularWeight: 377.4131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(OC1=O)C2=CC=CC=C2)SC#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(OC1=O)C2=CC=CC=C2)SC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H15NO4S/c1-2-25-20(23)17-16(14-9-5-3-6-10-14)19(27-13-22)18(26-21(17)24)15-11-7-4-8-12-15/h3-12H,2H2,1H3