N-methyl-1,3-benzoxazol-2-amine; (2E)-2-[phenyl(propoxy)methylidene]-1,3-thiazolidine-4,5-dione

Systemtic Name: N-methyl-1,3-benzoxazol-2-amine; (2E)-2-[phenyl(propoxy)methylidene]-1,3-thiazolidine-4,5-dione Openeye Name: N-methyl-1,3-benzoxazol-2-amine; (2E)-2-[phenyl(propoxy)methylene]thiazolidine-4,5-dione CAS Name: N-methyl-1,3-benzoxazol-2-amine; (2E)-2-[phenyl(propoxy)methylidene]thiazolidine-4,5-dione IUPAC Name: N-methyl-1,3-benzoxazol-2-amine; (2E)-2-[phenyl(propoxy)methylidene]-1,3-thiazolidine-4,5-dione Traditional Name: 1,3-benzoxazol-2-yl(methyl)amine; (2E)-2-[phenyl(propoxy)methylene]thiazolidine-4,5-quinone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=C1NC(=O)C(=O)S1)C2=CC=CC=C2.CNC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCO/C(=C/1\NC(=O)C(=O)S1)/C2=CC=CC=C2.CNC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C13H13NO3S.C8H8N2O/c1-2-8-17-10(9-6-4-3-5-7-9)12-14-11(15)13(16)18-12;1-9-8-10-6-4-2-3-5-7(6)11-8/h3-7H,2,8H2,1H3,(H,14,15);2-5H,1H3,(H,9,10)/b12-10+;