N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(diphenylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(diphenylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-benzhydryl-N-(1,1-dioxothiolan-3-yl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-(diphenylmethyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-benzhydryl-N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-benzhydryl-N-(1,1-diketothiolan-3-yl)-2-isoxazoline-5-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2CC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)C2CC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O4S/c24-21(22-17-11-12-28(25,26)14-17)19-13-18(23-27-19)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2,(H,22,24)