[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C18H14BrNO5S MolecularWeight: 436.27646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO5S/c19-12-2-4-13(5-3-12)26-10-18(23)25-8-15(21)11-1-6-16-14(7-11)20-17(22)9-24-16/h1-7H,8-10H2,(H,20,22)