1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-propan-2-ylphenyl)pyrazole-3-carboxylate

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-propan-2-ylphenyl)pyrazole-3-carboxylate Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-isopropylphenyl)pyrazole-3-carboxylate CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-(4-propan-2-ylphenyl)-3-pyrazolecarboxylate IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-propan-2-ylphenyl)pyrazole-3-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-p-cumenyl-pyrazole-3-carboxylate Formula: C17H19N2O4S- MolecularWeight: 347.40876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O4S/c1-11(2)12-3-5-13(6-4-12)16-9-15(17(20)21)18-19(16)14-7-8-24(22,23)10-14/h3-6,9,11,14H,7-8,10H2,1-2H3,(H,20,21)/p-1/t14-/m0/s1