N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Openeye Name: N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide CAS Name: N-[(1,1-dioxo-3-thiolanyl)methyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide IUPAC Name: N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Traditional Name: N-[(1,1-diketothiolan-3-yl)methyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC1CNC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

InChI

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