1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-chlorophenyl)pyrazole-3-carboxylate

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-chlorophenyl)pyrazole-3-carboxylate Openeye Name: 5-(4-chlorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolecarboxylate IUPAC Name: 5-(4-chlorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-[(3S)-1,1-diketothiolan-3-yl]pyrazole-3-carboxylate Formula: C14H12ClN2O4S- MolecularWeight: 339.77408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H13ClN2O4S/c15-10-3-1-9(2-4-10)13-7-12(14(18)19)16-17(13)11-5-6-22(20,21)8-11/h1-4,7,11H,5-6,8H2,(H,18,19)/p-1/t11-/m0/s1