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

Systemtic Name: ethyl (2Z)-5-methyl-2-(5-oxidanylidene-1,3-diphenyl-pyrazol-4-ylidene)-1,3-oxathiole-4-carboxylate Openeye Name: ethyl (2Z)-5-methyl-2-(5-oxo-1,3-diphenyl-pyrazol-4-ylidene)-1,3-oxathiole-4-carboxylate CAS Name: (2Z)-5-methyl-2-(5-oxo-1,3-diphenyl-4-pyrazolylidene)-1,3-oxathiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-5-methyl-2-(5-oxo-1,3-diphenylpyrazol-4-ylidene)-1,3-oxathiole-4-carboxylate Traditional Name: (2Z)-2-(5-keto-1,3-diphenyl-2-pyrazolin-4-ylidene)-5-methyl-1,3-oxathiole-4-carboxylic acid ethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)S1)C

Isomeric SMILES

CCOC(=O)C1=C(O/C(=C/2\C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)/S1)C

InChI

InChI=1S/C22H18N2O4S/c1-3-27-21(26)19-14(2)28-22(29-19)17-18(15-10-6-4-7-11-15)23-24(20(17)25)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3/b22-17-