5-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]-2-oxidanylidene-5-(phenylmethyl)-1,2,3-thiadiazolidin-2-ium-4-one

Systemtic Name: 5-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]-2-oxidanylidene-5-(phenylmethyl)-1,2,3-thiadiazolidin-2-ium-4-one Openeye Name: 5-benzyl-5-[3-(5-methyl-2-phenyl-oxazol-4-yl)propanoyl]-2-oxo-thiadiazolidin-2-ium-4-one CAS Name: 5-[3-(5-methyl-2-phenyl-4-oxazolyl)-1-oxopropyl]-2-oxo-5-(phenylmethyl)-4-thiadiazolidin-2-iumone IUPAC Name: 5-benzyl-5-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]-2-oxothiadiazolidin-2-ium-4-one Traditional Name: 5-benzyl-2-keto-5-[3-(5-methyl-2-phenyl-oxazol-4-yl)propanoyl]thiadiazolidin-2-ium-4-one Formula: C22H20N3O4S+ MolecularWeight: 422.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCC(=O)C3(C(=O)N[N+](=O)S3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCC(=O)C3(C(=O)N[N+](=O)S3)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S/c1-15-18(23-20(29-15)17-10-6-3-7-11-17)12-13-19(26)22(21(27)24-25(28)30-22)14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3/p+1