N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-3-methoxy-benzamide

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-3-methoxy-benzamide Openeye Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-3-methoxy-benzamide CAS Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolyl]-3-methoxybenzamide IUPAC Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-3-methoxybenzamide Traditional Name: N-[5-tert-butyl-2-[(3S)-1,1-diketothiolan-3-yl]pyrazol-3-yl]-3-methoxy-benzamide Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)OC)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)OC)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C19H25N3O4S/c1-19(2,3)16-11-17(22(21-16)14-8-9-27(24,25)12-14)20-18(23)13-6-5-7-15(10-13)26-4/h5-7,10-11,14H,8-9,12H2,1-4H3,(H,20,23)/t14-/m0/s1