[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H17N3O5S/c20-15(18-13-6-9-25(22,23)11-13)10-24-16(21)12-2-4-14(5-3-12)19-8-1-7-17-19/h1-5,7-8,13H,6,9-11H2,(H,18,20)