ethyl (2Z)-5-methyl-2-(5-oxidanylidene-3-phenyl-1H-pyrazol-4-ylidene)-1,3-oxathiole-4-carboxylate

Systemtic Name: ethyl (2Z)-5-methyl-2-(5-oxidanylidene-3-phenyl-1H-pyrazol-4-ylidene)-1,3-oxathiole-4-carboxylate Openeye Name: ethyl (2Z)-5-methyl-2-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)-1,3-oxathiole-4-carboxylate CAS Name: (2Z)-5-methyl-2-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)-1,3-oxathiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-5-methyl-2-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)-1,3-oxathiole-4-carboxylate Traditional Name: (2Z)-2-(3-keto-5-phenyl-2-pyrazolin-4-ylidene)-5-methyl-1,3-oxathiole-4-carboxylic acid ethyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C2C(=NNC2=O)C3=CC=CC=C3)S1)C

Isomeric SMILES

CCOC(=O)C1=C(O/C(=C/2\C(=NNC2=O)C3=CC=CC=C3)/S1)C

InChI

InChI=1S/C16H14N2O4S/c1-3-21-15(20)13-9(2)22-16(23-13)11-12(17-18-14(11)19)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,18,19)/b16-11-