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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(2,5-dimethylphenyl)pyrazole-3-carboxylate Openeye Name: 5-(2,5-dimethylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxylate CAS Name: 5-(2,5-dimethylphenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolecarboxylate IUPAC Name: 5-(2,5-dimethylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-(2,5-dimethylphenyl)pyrazole-3-carboxylate Formula: C16H17N2O4S- MolecularWeight: 333.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c1-10-3-4-11(2)13(7-10)15-8-14(16(19)20)17-18(15)12-5-6-23(21,22)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,19,20)/p-1/t12-/m0/s1