[8-oxidanylidene-7-(2,4,6-trimethylphenyl)-3-thia-9-azaspiro[4.4]non-6-en-6-yl] ethanoate

Systemtic Name: [8-oxidanylidene-7-(2,4,6-trimethylphenyl)-3-thia-9-azaspiro[4.4]non-6-en-6-yl] ethanoate Openeye Name: [8-oxo-7-(2,4,6-trimethylphenyl)-3-thia-9-azaspiro[4.4]non-6-en-6-yl] acetate CAS Name: acetic acid [8-oxo-7-(2,4,6-trimethylphenyl)-3-thia-9-azaspiro[4.4]non-6-en-6-yl] ester IUPAC Name: [8-oxo-7-(2,4,6-trimethylphenyl)-3-thia-9-azaspiro[4.4]non-6-en-6-yl] acetate Traditional Name: acetic acid (8-keto-7-mesityl-3-thia-9-azaspiro[4.4]non-6-en-6-yl) ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C(C3(CCSC3)NC2=O)OC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C(C3(CCSC3)NC2=O)OC(=O)C)C

InChI

InChI=1S/C18H21NO3S/c1-10-7-11(2)14(12(3)8-10)15-16(22-13(4)20)18(19-17(15)21)5-6-23-9-18/h7-8H,5-6,9H2,1-4H3,(H,19,21)