[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-propyl-amino]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-propyl-amino]-2-keto-ethyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O5S/c1-2-9-22(15-8-10-28(25,26)13-15)18(23)12-27-19(24)17-11-16(20-21-17)14-6-4-3-5-7-14/h3-7,11,15H,2,8-10,12-13H2,1H3,(H,20,21)/t15-/m0/s1