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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-ethylphenyl)pyrazole-3-carboxylate Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-ethylphenyl)pyrazole-3-carboxylate CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-(4-ethylphenyl)-3-pyrazolecarboxylate IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-ethylphenyl)pyrazole-3-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-(4-ethylphenyl)pyrazole-3-carboxylate Formula: C16H17N2O4S- MolecularWeight: 333.38218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c1-2-11-3-5-12(6-4-11)15-9-14(16(19)20)17-18(15)13-7-8-23(21,22)10-13/h3-6,9,13H,2,7-8,10H2,1H3,(H,19,20)/p-1/t13-/m0/s1