methyl 6-phenyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate

Systemtic Name: methyl 6-phenyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate Openeye Name: methyl 6-phenyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate CAS Name: 6-phenyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylic acid methyl ester IUPAC Name: methyl 6-phenyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate Traditional Name: 6-phenyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylic acid methyl ester Formula: C13H13NO2S MolecularWeight: 247.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2(CC2)SC(=N1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C2(CC2)SC(=N1)C3=CC=CC=C3

InChI

InChI=1S/C13H13NO2S/c1-16-12(15)10-13(7-8-13)17-11(14-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3