(4-bromanyl-2-methanoyl-phenyl) 1-oxidanylideneisothiochromene-3-carboxylate

Systemtic Name: (4-bromanyl-2-methanoyl-phenyl) 1-oxidanylideneisothiochromene-3-carboxylate Openeye Name: (4-bromo-2-formyl-phenyl) 1-oxoisothiochromene-3-carboxylate CAS Name: 1-oxo-2-benzothiopyran-3-carboxylic acid (4-bromo-2-formylphenyl) ester IUPAC Name: (4-bromo-2-formylphenyl) 1-oxoisothiochromene-3-carboxylate Traditional Name: 1-ketoisothiochromene-3-carboxylic acid (4-bromo-2-formyl-phenyl) ester Formula: C17H9BrO4S MolecularWeight: 389.21996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)OC3=C(C=C(C=C3)Br)C=O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)OC3=C(C=C(C=C3)Br)C=O

InChI

InChI=1S/C17H9BrO4S/c18-12-5-6-14(11(7-12)9-19)22-16(20)15-8-10-3-1-2-4-13(10)17(21)23-15/h1-9H