N-methyl-1,3-benzoxazol-2-amine; (3E)-3-[phenyl(propoxy)methylidene]-1,3-thiazolidin-3-ium-2,4-dione

Systemtic Name: N-methyl-1,3-benzoxazol-2-amine; (3E)-3-[phenyl(propoxy)methylidene]-1,3-thiazolidin-3-ium-2,4-dione Openeye Name: N-methyl-1,3-benzoxazol-2-amine; (3E)-3-[phenyl(propoxy)methylene]thiazolidin-3-ium-2,4-dione CAS Name: N-methyl-1,3-benzoxazol-2-amine; (3E)-3-[phenyl(propoxy)methylidene]thiazolidin-3-ium-2,4-dione IUPAC Name: N-methyl-1,3-benzoxazol-2-amine; (3E)-3-[phenyl(propoxy)methylidene]-1,3-thiazolidin-3-ium-2,4-dione Traditional Name: 1,3-benzoxazol-2-yl(methyl)amine; (3E)-3-[phenyl(propoxy)methylene]thiazolidin-3-ium-2,4-quinone Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=[N+]1C(=O)CSC1=O)C2=CC=CC=C2.CNC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCO/C(=[N+]/1\C(=O)CSC1=O)/C2=CC=CC=C2.CNC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C13H14NO3S.C8H8N2O/c1-2-8-17-12(10-6-4-3-5-7-10)14-11(15)9-18-13(14)16;1-9-8-10-6-4-2-3-5-7(6)11-8/h3-7H,2,8-9H2,1H3;2-5H,1H3,(H,9,10)/q+1;/b14-12+;