[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C20H13BrN2O4S MolecularWeight: 457.29722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C20H13BrN2O4S/c21-17-7-3-1-5-15(17)20(24)27-14-11-9-13(10-12-14)22-19-16-6-2-4-8-18(16)28(25,26)23-19/h1-12H,(H,22,23)