dimethyl 2-[1,3-benzoxazol-2-yl(chloranyl)methylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[1,3-benzoxazol-2-yl(chloranyl)methylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1,3-benzoxazol-2-yl(chloro)methylene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1,3-benzoxazol-2-yl(chloro)methylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1,3-benzoxazol-2-yl(chloro)methylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1,3-benzoxazol-2-yl(chloro)methylene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C15H10ClNO5S2 MolecularWeight: 383.8266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C(C2=NC3=CC=CC=C3O2)Cl)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C(C2=NC3=CC=CC=C3O2)Cl)S1)C(=O)OC

InChI

InChI=1S/C15H10ClNO5S2/c1-20-13(18)10-11(14(19)21-2)24-15(23-10)9(16)12-17-7-5-3-4-6-8(7)22-12/h3-6H,1-2H3