[4-oxidanylidene-3-(phenylcarbonyl)-2-piperidin-1-yl-1-thiophen-2-yl-cyclobut-2-en-1-yl] ethanoate

Systemtic Name: [4-oxidanylidene-3-(phenylcarbonyl)-2-piperidin-1-yl-1-thiophen-2-yl-cyclobut-2-en-1-yl] ethanoate Openeye Name: [3-benzoyl-4-oxo-2-(1-piperidyl)-1-(2-thienyl)cyclobut-2-en-1-yl] acetate CAS Name: acetic acid [3-benzoyl-4-oxo-2-(1-piperidinyl)-1-thiophen-2-yl-1-cyclobut-2-enyl] ester IUPAC Name: (3-benzoyl-4-oxo-2-piperidin-1-yl-1-thiophen-2-ylcyclobut-2-en-1-yl) acetate Traditional Name: acetic acid [3-benzoyl-4-keto-2-piperidino-1-(2-thienyl)cyclobut-2-en-1-yl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C(=C(C1=O)C(=O)C2=CC=CC=C2)N3CCCCC3)C4=CC=CS4

Isomeric SMILES

CC(=O)OC1(C(=C(C1=O)C(=O)C2=CC=CC=C2)N3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C22H21NO4S/c1-15(24)27-22(17-11-8-14-28-17)20(23-12-6-3-7-13-23)18(21(22)26)19(25)16-9-4-2-5-10-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3